3UQG
c-SRC kinase domain in complex with bumpless BKI analog UW1243
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-16 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97945 |
Spacegroup name | P 1 |
Unit cell lengths | 42.540, 63.720, 74.980 |
Unit cell angles | 78.17, 89.34, 90.08 |
Refinement procedure
Resolution | 53.210 - 2.200 |
R-factor | 0.2302 |
Rwork | 0.229 |
R-free | 0.25910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.231 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.370 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.114 | 0.893 |
Number of reflections | 38121 | |
<I/σ(I)> | 7.2 | 1.3 |
Completeness [%] | 97.3 | 96.7 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 9% PEG 2000, 100 mM MES pH 7, 2.0 mM UW1243 in 10% DMSO, vapor diffusion, sitting drop, temperature 298K |