6MUL
Murine PI3K delta kinsae domain - cpd 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-29 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.030, 219.110, 78.240 |
| Unit cell angles | 90.00, 113.62, 90.00 |
Refinement procedure
| Resolution | 36.520 - 3.090 |
| R-factor | 0.25 |
| Rwork | 0.248 |
| R-free | 0.29200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wxf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | BUSTER-TNT |
| Refinement software | BUSTER-TNT (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 200.000 | 3.190 |
| High resolution limit [Å] | 3.080 | 3.100 |
| Rmerge | 0.109 | 0.508 |
| Number of reflections | 35290 | 2972 |
| <I/σ(I)> | 12.6 | 2.5 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 0.1M Na-MES pH 6.8 30mM Na2HPO4 13%w/v PEG 600 |
