6MUM
Murine PI3K delta kinsae domain - cpd 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.350, 220.680, 78.190 |
| Unit cell angles | 90.00, 114.02, 90.00 |
Refinement procedure
| Resolution | 30.450 - 3.060 |
| R-factor | 0.232 |
| Rwork | 0.230 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wxf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BUSTER-TNT |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.040 | 3.066 |
| High resolution limit [Å] | 3.055 | 3.055 |
| Number of reflections | 34556 | |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 93.4 | 99.1 |
| Redundancy | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 295 | 0.1M Na-MES pH 6.8, 30 mM Na2HPO4, 5% v/v MPD, 13% w/v PEG600 |
