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 |
