4F8N
X-ray structure of PsaA from Yersinia pestis, in complex with galactose and phosphate choline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-01 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9 |
Spacegroup name | P 2 2 21 |
Unit cell lengths | 26.154, 54.922, 103.271 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.461 - 2.501 |
R-factor | 0.2467 |
Rwork | 0.245 |
R-free | 0.28200 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
Rmerge | 0.122 | 0.044 | 0.406 |
Number of reflections | 6381 | ||
<I/σ(I)> | 7.4 | ||
Completeness [%] | 95.6 | 98.2 | 97.9 |
Redundancy | 5.7 | 6.7 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | ammonium sulphate, Guanidine HCl, pH 4.2, vapor diffusion, hanging drop, temperature 298K |