6MJY
M. thermoresistible GuaB2 delta-CBS in complex with 6Cl-IMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2015-12-12 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | I 4 |
| Unit cell lengths | 88.530, 88.530, 84.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.865 - 1.560 |
| R-factor | 0.1767 |
| Rwork | 0.176 |
| R-free | 0.19080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ou1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| 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] | 35.870 | 1.620 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Number of reflections | 46334 | |
| <I/σ(I)> | 12.5 | 1.56 |
| Completeness [%] | 99.8 | |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 292 | 100mM sodium acetate pH 5.5, 200mM calcium chloride, 8-14% iso-propanol |
