4J71
Crystal Structure of GSK3b in complex with inhibitor 1R
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 | 2012-03-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 |
Unit cell lengths | 63.380, 67.116, 67.440 |
Unit cell angles | 99.80, 102.94, 89.94 |
Refinement procedure
Resolution | 42.490 - 2.310 |
R-factor | 0.1911 |
Rwork | 0.190 |
R-free | 0.23390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gng |
RMSD bond length | 0.003 |
RMSD bond angle | 0.698 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.060 | 0.048 | 0.687 |
Number of reflections | 45699 | ||
<I/σ(I)> | 8.7 | ||
Completeness [%] | 97.6 | 94.1 | 96 |
Redundancy | 2.2 | 2.2 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 290 | 20% PEG-3350, 0.2M Na Formate, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 290.0K |