4UAL
MRCK beta in complex with BDP00005290
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.969 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.030, 44.030, 91.120 |
| Unit cell angles | 90.00, 107.27, 90.00 |
Refinement procedure
| Resolution | 43.510 - 1.710 |
| R-factor | 0.2063 |
| Rwork | 0.205 |
| R-free | 0.23630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tku |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.686 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.510 | 1.750 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.066 | 0.571 |
| Number of reflections | 46470 | |
| <I/σ(I)> | 12.7 | 2.1 |
| Completeness [%] | 98.0 | 98.7 |
| Redundancy | 4.2 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 12-18% PEG 3350, 100mM ammonium sulphate, 100mM sodium potassium tartrate, 100mM bis-tris pH 5.6 |
