4UD6
Structure of methylviologen-treated anaerobically purified D. fructosovorans NiFe-hydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.940, 99.560, 183.940 |
| Unit cell angles | 90.00, 91.31, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.120 |
| R-factor | 0.15442 |
| Rwork | 0.152 |
| R-free | 0.19594 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2frv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.348 |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.200 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.040 | 0.240 |
| Number of reflections | 131493 | |
| <I/σ(I)> | 19.2 | 3.8 |
| Completeness [%] | 99.2 | 98 |
| Redundancy | 3.2 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | IN GLOVEBOX, PH 6.6, 293K, PEG6000, MES |
