4UD2
Structure of anaerobically purified D. fructosovorans NiFe- hydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-04-24 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.010, 100.170, 183.980 |
| Unit cell angles | 90.00, 91.42, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.300 |
| R-factor | 0.17475 |
| Rwork | 0.173 |
| R-free | 0.20688 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2frv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.252 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.060 | 0.200 |
| Number of reflections | 92983 | |
| <I/σ(I)> | 12.7 | 3.7 |
| Completeness [%] | 88.7 | 52.9 |
| Redundancy | 3.1 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.4 | 293 | VAPOR DIFFUSION, PH 6.4, 293 K, PEG6000, MES, IN A GLOVEBOX |
