4GD3
Structure of E. coli hydrogenase-1 in complex with cytochrome b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-29 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97908 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 126.000, 165.300, 212.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 3.300 |
| R-factor | 0.2018 |
| Rwork | 0.200 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uqy |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.161 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.120 | 3.300 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.080 | 1.054 |
| Number of reflections | 138472 | 12080 |
| <I/σ(I)> | 11.35 | 1.16 |
| Completeness [%] | 97.8 | 97.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.9 | 298 | 12% PEG4000, 0.1M NaCl, 0.1M NaAc, 0.2M NH4Ac, 0.001M DTT, 0.02% DDM, Tris/HCl, 0.0003M NQNO (a menaquinone analog), pH 5.9, VAPOR DIFFUSION, temperature 298K |
