4UE2
Structure of air-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 | 2000-11-26 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.090, 99.650, 184.170 |
| Unit cell angles | 90.00, 91.16, 90.00 |
Refinement procedure
| Resolution | 19.910 - 2.020 |
| R-factor | 0.16518 |
| Rwork | 0.164 |
| R-free | 0.19135 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2frv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.227 |
| 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 | 2.050 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Rmerge | 0.060 | 0.200 |
| Number of reflections | 150075 | |
| <I/σ(I)> | 9 | 3.3 |
| Completeness [%] | 97.5 | 91.6 |
| Redundancy | 2.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.3 | 293 | CRYSTALLIZATION IN GLOVEBOX, PH 6.3, 293K, PEG6000, MES, CRYSTAL EXPOSED 52 HOURS TO AIR BEFORE FLASH- COOLING AND DATA COLLECTION |
