7E6C
Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS C361A from Bacillus subtilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-09 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 92.800, 92.800, 128.900 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.440 - 1.730 |
R-factor | 0.1536 |
Rwork | 0.152 |
R-free | 0.17660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zs9 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.462 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.440 | 46.440 | 1.830 |
High resolution limit [Å] | 1.730 | 10.000 | 1.730 |
Rmerge | 0.053 | 0.026 | 0.798 |
Rmeas | 0.055 | 0.026 | 0.820 |
Total number of observations | 1270688 | ||
Number of reflections | 67513 | 410 | 10350 |
<I/σ(I)> | 28.77 | 65.03 | 3.72 |
Completeness [%] | 100.0 | 98.1 | 100 |
Redundancy | 18.821 | 16.005 | 18.451 |
CC(1/2) | 1.000 | 0.999 | 0.913 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M Tris-HCl, 50 mM Lithium sulfate, 50%(v/v) PEG200 |