4RX7
SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9765 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.850, 85.230, 89.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.620 - 1.800 |
R-factor | 0.1817 |
Rwork | 0.181 |
R-free | 0.20340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | BUSTER-TNT (BUSTER 2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.148 | 0.102 | 0.856 |
Number of reflections | 29048 | ||
<I/σ(I)> | 8.1 | ||
Completeness [%] | 99.8 | 99.4 | 97.5 |
Redundancy | 4.7 | 4.4 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 293 | 20% PEG 3350, 0.2M ammonium formate, pH 6.0, vapor diffusion, temperature 293K |