2BZ6
Orally available Factor7a inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-02-25 |
Detector | MARRESEARCH MAR300 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 94.930, 94.930, 115.640 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.320 - 1.600 |
R-factor | 0.168 |
Rwork | 0.166 |
R-free | 0.19300 |
Structure solution method | OTHER |
RMSD bond length | 0.012 |
RMSD bond angle | 1.462 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.600 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.120 | 0.810 |
Number of reflections | 69242 | |
<I/σ(I)> | 10.15 | 1.78 |
Completeness [%] | 81.6 | 36.5 |
Redundancy | 7 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 35%AS, 2%PEG400, 100MM BICINE PH8.5, 15% GLYCEROL, pH 8.50 |