1TM0
Crystal Structure of the putative proline racemase from Brucella melitensis, Northeast Structural Genomics Target LR31
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-04 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97904 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 138.027, 77.363, 77.416 |
Unit cell angles | 90.00, 124.11, 90.00 |
Refinement procedure
Resolution | 28.570 - 2.800 |
R-factor | 0.236 |
Rwork | 0.236 |
R-free | 0.31200 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.570 | 2.980 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.078 | 0.181 |
Number of reflections | 26270 | |
<I/σ(I)> | 13.5 | 5.1 |
Completeness [%] | 84.3 | 98.2 |
Redundancy | 3.4 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG 3350, pH 7, 200mM potassium thiocyanate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |