6D4T
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054)
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 | 88.710, 88.710, 84.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.177 - 1.540 |
| R-factor | 0.1662 |
| Rwork | 0.165 |
| R-free | 0.18710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5j5r |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.195 |
| 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] | 61.180 | 1.600 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Number of reflections | 48275 | |
| <I/σ(I)> | 11.9 | |
| 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 |
