6L4L
Crystal structure of S. aureus CntK in inactive state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 110 |
Detector technology | PIXEL |
Collection date | 2017-12-28 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 70.748, 60.293, 76.991 |
Unit cell angles | 90.00, 116.91, 90.00 |
Refinement procedure
Resolution | 30.160 - 2.000 |
R-factor | 0.2022 |
Rwork | 0.201 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jis |
RMSD bond length | 0.007 |
RMSD bond angle | 1.286 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.501 | |
Rmeas | 0.072 | |
Number of reflections | 19154 | 1897 |
<I/σ(I)> | 20.646 | |
Completeness [%] | 98.0 | |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.05 M HEPES pH7.5, 26% PEG 400 |