4UQL
High-resolution structure of a Ni-A Ni-Sox mixture of the D. fructosovorans NiFe-hydrogenase L122A mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-12 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.690, 100.850, 116.700 |
| Unit cell angles | 90.00, 105.96, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.220 |
| R-factor | 0.12202 |
| Rwork | 0.120 |
| R-free | 0.15200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yqw |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.662 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 1.220 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.079 | 0.680 |
| Number of reflections | 487248 | |
| <I/σ(I)> | 7.95 | 1.22 |
| Completeness [%] | 95.9 | 88 |
| Redundancy | 3.61 | 3.16 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.1 | 298 | VAPOR DIFFUSION, ANAEROBIC, 298 K, PEG 6000, MES, HEPES, PH 6.1 |
