8ZLH
The craystal structure of CcmS.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.536, 74.627, 93.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.640 - 1.990 |
R-factor | 0.2018 |
Rwork | 0.197 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.145 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.620 | 2.090 |
High resolution limit [Å] | 1.990 | 1.990 |
Number of reflections | 20318 | 2894 |
<I/σ(I)> | 18.7 | |
Completeness [%] | 100.0 | |
Redundancy | 12.6 | |
CC(1/2) | 0.999 | 0.903 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.2 M Magnesium formate, 20% w/v PEG 3350 |