6ZCS
SYK Kinase domain in complex with azabenzimidazole inhibitor 3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92819 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.390, 86.119, 90.901 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.520 - 1.470 |
R-factor | 0.191 |
Rwork | 0.190 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ssb |
RMSD bond length | 0.010 |
RMSD bond angle | 0.910 |
Data reduction software | Aimless |
Data scaling software | Aimless (0.5.31) |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.520 | 1.510 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.037 | 0.810 |
Rmeas | 0.041 | 0.973 |
Rpim | 0.017 | 0.528 |
Number of reflections | 49621 | 2135 |
<I/σ(I)> | 17.3 | |
Completeness [%] | 90.7 | 53.7 |
Redundancy | 5.3 | 3.1 |
CC(1/2) | 1.000 | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 278 | 0.1M Na3Cit pH 6.4, 16% PEG3350, 0.2M KH2PO4 |