3QAR
Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 32
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-31 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97740 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 143.838, 68.015, 106.046 |
Unit cell angles | 90.00, 95.45, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.650 |
R-factor | 0.23734 |
Rwork | 0.234 |
R-free | 0.29364 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e8y |
RMSD bond length | 0.007 |
RMSD bond angle | 0.987 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.740 |
High resolution limit [Å] | 2.650 | 5.700 | 2.650 |
Rmerge | 0.088 | 0.049 | 0.414 |
Number of reflections | 29742 | ||
<I/σ(I)> | 19.3 | 2 | |
Completeness [%] | 99.7 | 100 | 97 |
Redundancy | 3.7 | 3.7 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.3 | 298 | 21% PEG 3350, 0.1 M Tris pH 7.3, 245 mM ammonium sulfate, 5 mM EDTA, VAPOR DIFFUSION, temperature 298K |