6D4W
M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637)
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 | 88.750, 88.750, 84.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.933 - 1.800 |
R-factor | 0.1666 |
Rwork | 0.165 |
R-free | 0.19660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5j5r |
RMSD bond length | 0.009 |
RMSD bond angle | 1.179 |
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] | 35.930 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 29914 | |
<I/σ(I)> | 12.5 | |
Completeness [%] | 98.5 | |
Redundancy | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | sodium acetate, calcium chloride, iso-propanol |