3CUR
Structure of a double methionine mutant of NI-FE hydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.600, 99.900, 183.000 |
| Unit cell angles | 90.00, 91.60, 90.00 |
Refinement procedure
| Resolution | 24.990 - 2.400 |
| R-factor | 0.152 |
| Rwork | 0.150 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yqw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.192 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.095 | 0.240 |
| Number of reflections | 86780 | |
| <I/σ(I)> | 11.8 | 4.4 |
| Completeness [%] | 95.3 | 80.1 |
| Redundancy | 4.6 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG6000, Glycerol, PH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
