3MJW
PI3 Kinase gamma with a benzofuranone inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Detector technology | CCD |
Collection date | 2007-02-26 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 145.600, 68.573, 107.246 |
Unit cell angles | 90.00, 95.02, 90.00 |
Refinement procedure
Resolution | 36.227 - 2.870 |
Rwork | 0.225 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e8y |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.970 |
High resolution limit [Å] | 2.870 | 2.870 |
Rmerge | 0.083 | 0.630 |
Number of reflections | 22212 | |
<I/σ(I)> | 13.7 | 1.07 |
Completeness [%] | 91.7 | 46.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 19% PEG 4000, 0.25 M (NH4)2SO4, 0.1 M TRIS PH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |