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 |