3LXY
Crystal structure of 4-hydroxythreonine-4-phosphate dehydrogenase from Yersinia pestis CO92
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 75.939, 88.105, 100.511 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.520 - 1.700 |
R-factor | 0.19421 |
Rwork | 0.192 |
R-free | 0.24794 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r8k |
RMSD bond length | 0.023 |
RMSD bond angle | 1.875 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.520 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.075 | 0.610 |
Number of reflections | 36631 | |
<I/σ(I)> | 18 | 2 |
Completeness [%] | 97.8 | 83 |
Redundancy | 4.3 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 1 M Ammonium sulfate, 0.1 M Bis-Tris, 1% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |