6QP3
Crystal structure of the PLP-bound C-S lyase from Bacillus subtilis (strain 168)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2018-10-18 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.279, 105.526, 209.576 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.280 - 2.300 |
R-factor | 0.2101 |
Rwork | 0.208 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dq6 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.652 |
Data scaling software | Aimless (0.7.3) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.280 | 2.350 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.197 | 1.195 |
Rmeas | 0.210 | 1.295 |
Rpim | 0.071 | 0.479 |
Number of reflections | 72159 | 3803 |
<I/σ(I)> | 8.7 | |
Completeness [%] | 96.1 | 82.8 |
Redundancy | 7.9 | 5.6 |
CC(1/2) | 0.991 | 0.574 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 298.15 | 0.2M Ammonium acetate, 20% PEG 3,350, pH 7.1 |