3ENE
Complex of PI3K gamma with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-01-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 144.302, 68.244, 106.069 |
| Unit cell angles | 90.00, 95.19, 90.00 |
Refinement procedure
| Resolution | 57.070 - 2.400 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8z |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.501 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (CCP4_3.2.5) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.140 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.070 | 0.360 |
| Number of reflections | 40149 | |
| <I/σ(I)> | 6.8 | 2 |
| Completeness [%] | 99.3 | 99.3 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 288 | 17% PEG 4000, 0.25M ammonium sulphate, 0.1M Tris pH 7.5, VAPOR DIFFUSION, temperature 288K |
