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 |