2FRV
CRYSTAL STRUCTURE OF THE OXIDIZED FORM OF NI-FE HYDROGENASE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID2 |
| Synchrotron site | ESRF |
| Beamline | ID2 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 112.780, 113.160, 133.910 |
| Unit cell angles | 90.03, 90.02, 119.99 |
Refinement procedure
| Resolution | 8.000 - 2.540 |
| R-factor | 0.202 |
| Rwork | 0.201 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1frv MOLECULE 1 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.044 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | AMoRE |
| Refinement software | PROLSQ |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.360 | 2.840 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.066 | 0.151 |
| Total number of observations | 296283 * | |
| Number of reflections | 174383 | |
| <I/σ(I)> | 7.5 | 4 |
| Completeness [%] | 92.5 | 87.4 |
| Redundancy | 1.7 | 1.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.6 | pH 6.6 |
