7E6E
Crystal structure of PMP-bound form of cysteine desulfurase SufS R376A from Bacillus subtilis in D-cycloserine-inhibition
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-08 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 92.400, 92.400, 128.700 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.240 - 2.280 |
R-factor | 0.1628 |
Rwork | 0.162 |
R-free | 0.17820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zs9 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.962 |
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] | 46.240 | 46.240 | 2.380 |
High resolution limit [Å] | 2.280 | 10.000 | 2.280 |
Rmerge | 0.066 | 0.021 | 0.916 |
Rmeas | 0.068 | 0.022 | 0.940 |
Total number of observations | 583407 | ||
Number of reflections | 29583 | 406 | 3539 |
<I/σ(I)> | 29.97 | 94.73 | 3.68 |
Completeness [%] | 100.0 | 98.5 | 100 |
Redundancy | 19.721 | 17.505 | 20.092 |
CC(1/2) | 1.000 | 1.000 | 0.901 |
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 |