7YN2
Crystal structure of CcbD with methylthiolincosamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-02 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.080000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 192.059, 52.903, 90.938 |
Unit cell angles | 90.00, 91.10, 90.00 |
Refinement procedure
Resolution | 48.010 - 2.300 |
R-factor | 0.2014 |
Rwork | 0.200 |
R-free | 0.23840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7yn1 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.938 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.010 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.067 | 0.559 |
Number of reflections | 40659 | 3958 |
<I/σ(I)> | 16.9 | 2.8 |
Completeness [%] | 99.1 | 99.1 |
Redundancy | 6.9 | 7.2 |
CC(1/2) | 0.999 | 0.919 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.02 M Tris-HCl (pH 6.7), 0.16 M magnesium chloride, 10% w/v PEG 8000 |