4WNM
SYK catalytic domain in complex with a potent triazolopyridine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.871, 84.820, 90.627 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.500 |
R-factor | 0.2067 |
Rwork | 0.204 |
R-free | 0.26000 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.517 |
Data reduction software | HKL-2000 |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.082 | 0.042 | 0.760 |
Total number of observations | 24433 | ||
Number of reflections | 9994 | ||
<I/σ(I)> | 11.2 | ||
Completeness [%] | 88.9 | 78.8 | 88.6 |
Redundancy | 2.4 | 2.5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 278 | 100 mM MES pH 5.3, 150 mM Ammonium sulfate, and 22% PEG 3350 |