7KKE
Phosphoinositide 3-Kinase gamma bound to a thiazole inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2009-08-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 141.456, 67.050, 107.398 |
Unit cell angles | 90.00, 97.05, 90.00 |
Refinement procedure
Resolution | 62.240 - 2.810 |
R-factor | 0.1967 |
Rwork | 0.194 |
R-free | 0.26370 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6c1s |
RMSD bond length | 0.009 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BUSTER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 62.240 | 62.237 | 2.990 |
High resolution limit [Å] | 2.810 | 8.086 | 2.810 |
Rmerge | 0.070 | 0.020 | 1.154 |
Rmeas | 0.083 | 0.023 | 1.348 |
Rpim | 0.044 | 0.012 | 0.692 |
Total number of observations | 3277 | 3688 | |
Number of reflections | 19864 | 993 | 993 |
<I/σ(I)> | 13.1 | 42.4 | 1.1 |
Completeness [%] | 87.3 | 90.3 | 42.7 |
Redundancy | 3.3 | 3.3 | 3.7 |
CC(1/2) | 0.999 | 0.999 | 0.547 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 298 | 25% PEG3350, 200MM LITHIUM SULFATE, 10 REMARK 280 MM DTT, 10 MM EDTA, 100 MM TRIS, PH 8.5, VAPOR DIFFUSION, REMARK 280 HANGING DROP, TEMPERATURE 298K |