5MQJ
Crystal structure of dCK mutant C3S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-12 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.872900 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 92.695, 92.695, 338.083 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.060 - 3.700 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p60 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.220 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.350 | 3.833 |
| High resolution limit [Å] | 3.700 | 3.700 |
| Rmerge | 0.163 | 1.021 |
| Number of reflections | 16596 | 1589 |
| <I/σ(I)> | 15.04 | 3.15 |
| Completeness [%] | 100.0 | 99 |
| Redundancy | 9.9 | 10.2 |
| CC(1/2) | 0.998 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291.15 | 100 mM Sodium acetate pH 5.5, 20% PEG 3350, 50 mM NaCl |
