3UEP
Crystal structure of YscQ-C from Yersinia pseudotuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9686 |
Spacegroup name | H 3 2 |
Unit cell lengths | 114.130, 114.130, 88.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.421 - 2.250 |
R-factor | 0.2035 |
Rwork | 0.202 |
R-free | 0.23320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Se-Met YscQ-C (I248M) |
RMSD bond length | 0.009 |
RMSD bond angle | 1.244 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.420 | 2.310 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.047 | 0.232 |
Number of reflections | 10594 | |
<I/σ(I)> | 32.1 | 10.45 |
Completeness [%] | 99.3 | 94.2 |
Redundancy | 10.8 | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | 100 mM Tris, 1.5 M ammonium sulfate, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |