2GWG
Crystal Structure of 4-Oxalomesaconate Hydratase, LigJ, from Rhodopseudomonas palustris, Northeast Structural Genomics Target RpR66.
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 | 2006-04-29 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97925 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.086, 55.335, 97.166 |
Unit cell angles | 90.00, 90.26, 90.00 |
Refinement procedure
Resolution | 22.790 - 1.800 |
R-factor | 0.181 |
Rwork | 0.181 |
R-free | 0.20800 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.790 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.061 | 0.328 |
Number of reflections | 136535 | |
<I/σ(I)> | 24.8 | 4.04 |
Completeness [%] | 99.2 | 99.8 |
Redundancy | 4.4 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 100mM sodium acetate (pH 5), 18% PEG3350, 100mM sodium fluoride, 50mM lithium sulfate, and 5mM DTT., VAPOR DIFFUSION, HANGING DROP, temperature 291K |