4UQP
High-resolution structure of the D. fructosovorans NiFe-hydrogenase L122A mutant after exposure to air
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 | 64.700, 100.900, 116.700 |
| Unit cell angles | 90.00, 105.90, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.420 |
| R-factor | 0.12168 |
| Rwork | 0.120 |
| R-free | 0.15633 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.474 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.100 | 1.500 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.052 | 0.337 |
| Number of reflections | 264128 | |
| <I/σ(I)> | 11.48 | 2.4 |
| Completeness [%] | 97.5 | 86.4 |
| Redundancy | 3.59 | 2.83 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.1 | 298 | VAPOR DIFFUSION, ANAEROBIC GROWTH, 298 K, PEG 6000, MES, HEPES, CRYSTAL EXPOSED 3 DAYS TO AIR, PH 6.1 |
