8OGK
Crystal structure of CdaA from Bacillus subtilis co-crystallized with DMSO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.68879 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.650, 39.240, 67.980 |
Unit cell angles | 90.00, 94.99, 90.00 |
Refinement procedure
Resolution | 46.580 - 1.180 |
R-factor | 0.1756 |
Rwork | 0.175 |
R-free | 0.19380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.280 |
High resolution limit [Å] | 1.180 | 17.000 | 1.180 |
Rmerge | 0.032 | 0.025 | 1.773 |
Rmeas | 0.034 | 0.029 | 1.913 |
Number of reflections | 101314 | 31 | 21631 |
<I/σ(I)> | 19.96 | ||
Completeness [%] | 98.6 | ||
Redundancy | 6.8 | ||
CC(1/2) | 1.000 | 0.999 | 0.647 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Hepes pH 7.5 0.2 M Magnesium chloride 30 % (v/v) PEG 400 20 % (v/v) DMSO |