2QGV
Crystal structure of hydrogenase-1 operon protein hyaE from Shigella flexneri. Northeast Structural Genomics Consortium Target SfR170
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.172, 215.777, 64.069 |
| Unit cell angles | 90.00, 94.80, 90.00 |
Refinement procedure
| Resolution | 48.990 - 2.700 |
| R-factor | 0.253 |
| Rwork | 0.253 |
| R-free | 0.29200 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.990 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.066 | 0.398 |
| Number of reflections | 73852 | |
| <I/σ(I)> | 18.8 | 3.74 |
| Completeness [%] | 90.0 | 84.2 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | Protein solution: 20 mM Tris-HCl pH 7.5, 100 mM Sodium chloride, 5 mM DTT. Reservoir solution: 12% PEG 3350, 60 mM Ammonium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
