3LS8
Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97890 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.686, 141.151, 163.975 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.900 - 2.250 |
| R-factor | 0.21078 |
| Rwork | 0.209 |
| R-free | 0.25070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ihy |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.068 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.900 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.092 | 0.451 |
| Number of reflections | 68403 | |
| <I/σ(I)> | 12.4 | 1.5 |
| Completeness [%] | 99.3 | 95.8 |
| Redundancy | 4.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% PEG3350, 0.2M ammonium acetate, 0.1M hepes pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
