6G94
Structure of E. coli hydrogenase-1 C19G variant in complex with cytochrome b
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 | PIXEL |
| Collection date | 2014-06-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97908 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 124.410, 165.030, 206.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.500 |
| R-factor | 0.2234 |
| Rwork | 0.222 |
| R-free | 0.25290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gd3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.195 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.670 | 49.670 | 2.590 |
| High resolution limit [Å] | 2.500 | 9.680 | 2.500 |
| Rmerge | 0.305 | 0.037 | 2.194 |
| Rmeas | 0.347 | 0.042 | 2.484 |
| Rpim | 0.161 | 0.020 | 1.147 |
| Total number of observations | 656127 | ||
| Number of reflections | 146009 | 2725 | 14192 |
| <I/σ(I)> | 6.5 | ||
| Completeness [%] | 99.4 | 98.9 | 99.1 |
| Redundancy | 4.5 | 4.1 | 4.6 |
| CC(1/2) | 0.977 | 0.998 | 0.279 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | PEG4000, NaAc, NH4Ac, DTT, DMM |
