3NFU
Crystal structure of probable glucarate dehydratase from chromohalobacter salexigens dsm 3043 complexed with magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-03 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 135.009, 105.731, 87.991 |
| Unit cell angles | 90.00, 128.97, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.940 |
| R-factor | 0.19935 |
| Rwork | 0.197 |
| R-free | 0.26608 |
| Structure solution method | MR |
| Starting model (for MR) | 3mzn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.227 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.970 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.061 | 0.610 |
| Number of reflections | 70764 | |
| <I/σ(I)> | 8.6 | 1.3 |
| Completeness [%] | 97.7 | 85.6 |
| Redundancy | 4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 100MM SODIUM CACODYLATE, PH 6.5, 30% PEG8000, 200MM AMMONIUM SULFATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
