6D4V
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 22 (VCC061422)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9686 |
| Spacegroup name | I 4 |
| Unit cell lengths | 89.800, 89.800, 84.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.498 - 2.020 |
| R-factor | 0.1691 |
| Rwork | 0.168 |
| R-free | 0.20280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k4x |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.127 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 63.500 | 2.090 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Number of reflections | 22169 | |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | sodium acetate, calcium chloride, iso-propanol |
