1R0E
Glycogen synthase kinase-3 beta in complex with 3-indolyl-4-arylmaleimide 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 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.957, 84.009, 180.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.290 - 2.250 |
R-factor | 0.22455 |
Rwork | 0.223 |
R-free | 0.25171 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h8f |
RMSD bond length | 0.012 |
RMSD bond angle | 1.268 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 60350 | |
Completeness [%] | 98.3 | 99.5 |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.4 | 277 | PEG3350, ammonium fluoride, pH 7.4, VAPOR DIFFUSION, temperature 277K |