5OTE
MRCK beta in complex with BDP-00008900
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 PILATUS3 6M |
| Wavelength(s) | 0.96863 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.530, 44.300, 90.940 |
| Unit cell angles | 90.00, 106.86, 90.00 |
Refinement procedure
| Resolution | 29.410 - 1.680 |
| R-factor | 0.197 |
| Rwork | 0.196 |
| R-free | 0.21800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4uak |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.740 |
| Data reduction software | XDS (2013-03-30) |
| Data scaling software | xia2 (0.3.6.0) |
| Phasing software | REFMAC (5.8.0135) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.410 | 1.720 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.052 | 0.628 |
| Number of reflections | 49855 | |
| <I/σ(I)> | 13.1 | 2.1 |
| Completeness [%] | 99.5 | 99.6 |
| Redundancy | 4.3 | 4.1 |
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 |
