6BBL
Crystal structure of the a-96Gln MoFe protein variant in the presence of the substrate acetylene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.781, 128.251, 107.272 |
| Unit cell angles | 90.00, 109.11, 90.00 |
Refinement procedure
| Resolution | 39.760 - 1.680 |
| R-factor | 0.153 |
| Rwork | 0.151 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u7q |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.452 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((DEV_2880: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.900 | 1.710 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.094 | 0.478 |
| Number of reflections | 204410 | |
| <I/σ(I)> | 10.2 | 1.2 |
| Completeness [%] | 91.9 | 92 |
| Redundancy | 2.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8 | 295 | 30% w/v PEG4000, 0.1 M Tris, pH 8.0, 0.17 M sodium molybdate, 0.001 M sodium dithionite |
