3WB0
HcgB from Methanocaldococcus jannaschii in complex with light-decomposed FeGP cofactor of [Fe]-hydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.960, 119.340, 55.650 |
| Unit cell angles | 90.00, 115.14, 90.00 |
Refinement procedure
| Resolution | 47.940 - 1.910 |
| R-factor | 0.2291 |
| Rwork | 0.227 |
| R-free | 0.27520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3brc |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.031 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 | |
| High resolution limit [Å] | 1.900 | 12.000 | 1.900 |
| Rmerge | 0.085 | 0.067 | 0.323 |
| Rmeas | 0.075 | 0.412 | |
| Number of reflections | 46660 | 194 | 6105 |
| <I/σ(I)> | 11.17 | 21.29 | 2.88 |
| Completeness [%] | 94.9 | 89.8 | 87.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 20 %(w/v) PEG 8000, 0.1 M sodium cacodylate, 0.2M magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
