4UAK
MRCK beta in complex with ADP
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) | 0.978 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 114.200, 43.970, 91.330 |
| Unit cell angles | 90.00, 107.41, 90.00 |
Refinement procedure
| Resolution | 26.500 - 1.730 |
| R-factor | 0.19799 |
| Rwork | 0.196 |
| R-free | 0.24283 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tku |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.701 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.500 | 1.780 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.047 | 0.554 |
| Number of reflections | 44725 | |
| <I/σ(I)> | 11.5 | 2.2 |
| Completeness [%] | 98.8 | 99.2 |
| Redundancy | 3.2 | 2.8 |
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 |
