I have to resend my statistics.
Maia Cherney wrote:
Dear Bernhard
I am wondering where I should cut my data off. Here is the statistics
from XDS processing.
Maia
On 11-03-03 04:29 AM, Roberto Battistutta wrote:
Dear all,
I got a reviewer comment that indicate the "need to refine the
structures
at an appropriate resolution (I/sigmaI of>3.0), and re-submit the
revised
coordinate files to the PDB for validation.". In the manuscript I
present
some crystal structures determined by molecular replacement using the
same
protein in a different space group as search model. Does anyone know the
origin or the theoretical basis of this "I/sigmaI>3.0" rule for an
appropriate resolution?
Thanks,
Bye,
Roberto.
Roberto Battistutta
Associate Professor
Department of Chemistry
University of Padua
via Marzolo 1, 35131 Padova - ITALY
tel. +39.049.8275265/67
fax. +39.049.8275239
[email protected]
www.chimica.unipd.it/roberto.battistutta/
VIMM (Venetian Institute of Molecular Medicine) via Orus 2, 35129
Padova - ITALY tel. +39.049.7923236 fax +39.049.7923250 www.vimm.it
DETECTOR_SU
SUBSET OF INTENSITY DATA WITH SIGNAL/NOISE >= -3.0 AS FUNCTION OF RESOLUTION
RESOLUTION NUMBER OF REFLECTIONS COMPLETENESS R-FACTOR R-FACTOR
COMPARED I/SIGMA R-meas Rmrgd-F Anomal SigAno Nano
LIMIT OBSERVED UNIQUE POSSIBLE OF DATA observed expected
Corr
10.06 5509 304 364 83.5% 3.0% 4.4%
5509 63.83 3.1% 1.0% 11% 0.652 173
7.12 11785 595 595 100.0% 3.5% 4.8%
11785 59.14 3.6% 1.4% -10% 0.696 414
5.81 15168 736 736 100.0% 5.0% 5.6%
15168 51.88 5.1% 1.8% -9% 0.692 561
5.03 17803 854 854 100.0% 5.5% 5.7%
17803 50.02 5.6% 2.2% -10% 0.738 675
4.50 20258 964 964 100.0% 5.1% 5.4%
20258 52.61 5.3% 2.1% -16% 0.710 782
4.11 22333 1054 1054 100.0% 5.6% 5.7%
22333 50.89 5.8% 2.0% -16% 0.705 878
3.80 23312 1137 1137 100.0% 7.0% 6.6%
23312 42.95 7.1% 3.0% -13% 0.770 952
3.56 25374 1207 1208 99.9% 7.6% 7.3%
25374 40.56 7.8% 3.4% -18% 0.739 1033
3.35 27033 1291 1293 99.8% 9.7% 9.2%
27033 33.73 10.0% 4.1% -12% 0.765 1107
3.18 29488 1353 1353 100.0% 11.6% 11.6%
29488 28.16 11.9% 4.4% -7% 0.750 1176
3.03 31054 1419 1419 100.0% 15.7% 15.9%
31054 21.77 16.0% 6.9% -9% 0.741 1243
2.90 32288 1478 1478 100.0% 21.1% 21.6%
32288 16.99 21.6% 9.2% -6% 0.745 1296
2.79 33807 1542 1542 100.0% 28.1% 28.8%
33807 13.07 28.8% 12.9% -2% 0.783 1361
2.69 34983 1604 1604 100.0% 37.4% 38.7%
34983 9.95 38.3% 17.2% -2% 0.743 1422
2.60 35163 1653 1653 100.0% 48.8% 48.0%
35163 8.03 50.0% 21.9% -6% 0.754 1475
2.52 36690 1699 1699 100.0% 54.0% 56.0%
36690 6.98 55.3% 25.9% 0% 0.745 1517
2.44 37751 1757 1757 100.0% 67.9% 70.4%
37751 5.61 69.5% 32.5% -5% 0.733 1577
2.37 38484 1798 1799 99.9% 82.2% 84.5%
38484 4.72 84.2% 36.5% 2% 0.753 1620
2.31 39098 1842 1842 100.0% 91.4% 94.3%
39098 4.19 93.7% 43.7% -3% 0.744 1661
2.25 38809 1873 1923 97.4% 143.4% 139.3%
38809 2.84 147.1% 69.8% -2% 0.693 1696
total 556190 26160 26274 99.6% 11.9% 12.2%
556190 21.71 12.2% 9.7% -5% 0.739 22619
