8WTC
Crystal structure of McsB kinase domain complexed with McsA.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-31 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97942 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 188.104, 74.208, 79.935 |
| Unit cell angles | 90.00, 100.84, 90.00 |
Refinement procedure
| Resolution | 43.450 - 2.800 |
| R-factor | 0.2201 |
| Rwork | 0.216 |
| R-free | 0.26570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.224 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19rc5_4047: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.101 | 0.567 |
| Number of reflections | 26019 | 1202 |
| <I/σ(I)> | 16.6 | 1.8 |
| Completeness [%] | 95.3 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 9 | 293 | 2% v/v 1,4-dioxane, 10% w/v PEG20000, 3% w/v 1,6-hexanediol, 0.1 M BICINE pH 9.0 |
