5HLP
X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 1 |
Unit cell lengths | 65.048, 67.667, 67.770 |
Unit cell angles | 79.67, 76.66, 88.92 |
Refinement procedure
Resolution | 36.980 - 2.450 |
R-factor | 0.1898 |
Rwork | 0.187 |
R-free | 0.23980 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.859 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.980 | 50.000 | 2.540 |
High resolution limit [Å] | 2.450 | 5.280 | 2.450 |
Rmerge | 0.097 | 0.056 | 0.636 |
Total number of observations | 92123 | ||
Number of reflections | 37928 | ||
<I/σ(I)> | 10.5 | ||
Completeness [%] | 92.7 | 95.1 | 97.4 |
Redundancy | 2.4 | 2.4 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 10% (W/V) PEG 5000 MME, 50 mM citric acid and 50 mM bis-tris propane, pH 5.0, 5 mM TCEP |