4UEW
Structure of H2-treated 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 | 2001-04-14 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.770, 100.400, 183.430 |
| Unit cell angles | 90.00, 91.55, 90.00 |
Refinement procedure
| Resolution | 21.980 - 2.080 |
| R-factor | 0.19677 |
| Rwork | 0.195 |
| R-free | 0.23499 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2frv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.320 |
| 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] | 22.000 | 2.110 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.040 | 0.140 |
| Number of reflections | 123504 | |
| <I/σ(I)> | 15.1 | 5.7 |
| Completeness [%] | 87.7 | 57.7 |
| Redundancy | 3.1 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | INSIDE GLOVE ANAEROBIC BOX, PEG6000, MES, PH 6.3 |
