7E6A
Crystal structure 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 | 92.600, 92.600, 129.100 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.340 - 1.960 |
R-factor | 0.156 |
Rwork | 0.155 |
R-free | 0.17860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zs9 |
RMSD bond length | 0.021 |
RMSD bond angle | 2.378 |
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] | 46.340 | 46.340 | 2.060 |
High resolution limit [Å] | 1.960 | 10.000 | 1.960 |
Rmerge | 0.043 | 0.029 | 0.371 |
Rmeas | 0.044 | 0.029 | 0.387 |
Total number of observations | 866617 | ||
Number of reflections | 46459 | 406 | 6300 |
<I/σ(I)> | 39.84 | 79.94 | 6.46 |
Completeness [%] | 99.8 | 98.5 | 98.9 |
Redundancy | 18.653 | 16.148 | 12.158 |
CC(1/2) | 1.000 | 1.000 | 0.961 |
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 |