3F46
The Crystal Structure of C176A Mutated [Fe]-Hydrogenase (Hmd) Holoenzyme from Methanocaldococcus jannaschii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9919 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 96.350, 96.350, 166.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.950 |
| R-factor | 0.167 |
| Rwork | 0.165 |
| R-free | 0.20500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3dag |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.599 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.700 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.064 | 0.701 |
| Number of reflections | 28094 | 1987 |
| <I/σ(I)> | 17.2 | 4.2 |
| Completeness [%] | 96.9 | 95.8 |
| Redundancy | 7.9 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 283 | 49% MPD, 100mM Tris-HCl, 50mM Ammonium dihydrogen phosphate, 1mM DTT, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K |
