The R and Rfree are low enough so your space group is correct. I don't see a resolution in the log file. If it is 3 A dataset, 28% is not bad for a start at all. The N terminal region is probably completely disordered if it is not degraded.
Nian On Sat, Jul 16, 2011 at 3:47 AM, Appu kumar <[email protected]> wrote: > Dear CCP4 User, > I am new to crystallography and i need your > valuable suggestion to help me out. We have crystallized full length protein > and I am solving protein structure by molecular replacement method and > molecular weight of protein is 37kDa. Template pdb i am using have only > C-terminal 24kDa protein structure. HKL2000 gave a space group C2221 and > Mathews Coefficient indicate one molecule of 37 kDa with solvent content 17% > only. When i am running phaser, it gave me a most probable molecualr weight > of protein in ASU to be 23kDa. and also i am not getting any density for > N-terminal of protein. Right now my Rwrk and Rfree are 28% and 37% but it > not decreasing further. > When i am indexing in lower symetry sapce group P1211, most probable > molecular weight ofpreotin com comes to be 46kDa in ASU. Would please anyone > can help, and suggest me what is the real situation?. > Thanks in advance > Mathews table > > > Data line--- CELL 57.8080 70.0520 105.7080 90.0000 90.0000 90.0000 > Data line--- SYMM 'C 2 2 21' > > Cell volume: 428071.531 > > For estimated molecular weight 36000. > Nmol/asym Matthews Coeff %solvent P(2.30) P(tot) > _____________________________________________________________ > 1 1.49 17.30 1.00 1.00 > _____________________________________________________________ > > > Space-Group Name: C 2 2 21 > Space-Group Number: 20 > Unit Cell: 57.81 70.05 105.71 90.00 90.00 90.00 > MW of "average" protein to which Matthews applies: 36000 > Resolution for Matthews calculation: 2.30 > > Z MW VM % solvent rel. freq. > 1 36000 1.49 17.25 0.002 <== most probable > > Z is the number of multiples of the total composition > In most cases the most probable Z value should be 1 > If it is not 1, you may need to consider other compositions > > > Histogram of relative frequencies of VM values > ---------------------------------------------- > Frequency of most common VM value normalized to 1 > VM values plotted in increments of 1/VM (0.02) > > <--- relative frequency ---> > 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0 > | | | | | | | | | | | > 10.00 - > 8.33 - > 7.14 - > 6.25 - > 5.56 - > 5.00 - > 4.55 - > 4.17 -- > 3.85 --- > 3.57 ----- > 3.33 -------- > 3.12 ------------- > 2.94 ------------------- > 2.78 --------------------------- > 2.63 ------------------------------------ > 2.50 -------------------------------------------- > 2.38 ------------------------------------------------- > 2.27 -------------------------------------------------- > 2.17 --------------------------------------------- > 2.08 ----------------------------------- > 2.00 ----------------------- > 1.92 ------------- > 1.85 ------ > 1.79 -- > 1.72 - > 1.67 - > 1.61 - > 1.56 - > 1.52 - > 1.47 * (COMPOSITION*1) > 1.43 - > 1.39 - > 1.35 - > 1.32 - > 1.28 - > 1.25 - > > > Most probable VM for resolution = 2.30957 > Most probable MW of protein in asu for resolution = 23168.4 > > > Thanks in advance > Appu Kumar singh. >
