4KZC
Structure of PI3K gamma with Imidazopyridine inhibitors
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] | 100 |
Detector technology | CCD |
Collection date | 2005-12-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 146.383, 68.313, 108.161 |
Unit cell angles | 90.00, 95.24, 90.00 |
Refinement procedure
Resolution | 41.420 - 3.250 |
R-factor | 0.2361 |
Rwork | 0.235 |
R-free | 0.25580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.080 |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 61.857 | 61.857 | 3.290 |
High resolution limit [Å] | 3.120 | 9.870 | 3.120 |
Rmerge | 0.016 | 0.998 | |
Total number of observations | 1719 | 10246 | |
Number of reflections | 18940 | ||
<I/σ(I)> | 14.2 | 42 | 0.8 |
Completeness [%] | 98.8 | 84.9 | 100 |
Redundancy | 3.6 | 3.2 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 16-19% PEG 4000, 0.2M SODIUM ACETATE, 0.1M SODIUM CITRATE, 0.1M TRIS PH 8.5 [PROTEIN] 6MG/ML IN 20MM TRIS PH 7.2, 50MM AMMSO4, 1% BETAINE, 1% ETHYLENE GLYCOL, 0.02% CHAPS, 5MM DTT DROP: 1UL + 1UL, VAPOR DIFFUSION, HANGING DROP, temperature 291K |