3APD
Crystal structure of human PI3K-gamma in complex with CH5108134
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2006-05-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.950, 67.460, 106.280 |
Unit cell angles | 90.00, 95.68, 90.00 |
Refinement procedure
Resolution | 60.950 - 2.550 |
R-factor | 0.2532 |
Rwork | 0.250 |
R-free | 0.31620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e8y |
RMSD bond length | 0.008 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.953 | 60.950 | 2.610 |
High resolution limit [Å] | 2.548 | 11.390 | 2.550 |
Rmerge | 0.046 | 0.020 | 0.680 |
Total number of observations | 1250 | 9107 | |
Number of reflections | 33084 | ||
<I/σ(I)> | 17.7 | ||
Completeness [%] | 99.7 | 97.37 | 99.41 |
Redundancy | 3.7 | 3.25 | 3.76 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 20% PEG3350, 0.2M (NH4)2SO4, 0.1M Tris-HCl, streak seeding, pH 7.2, vapor diffusion, hanging drop, temperature 293K |