7CEP
Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS from Bacillus subtilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-25 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 92.800, 92.800, 128.680 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.180 - 2.050 |
R-factor | 0.1667 |
Rwork | 0.166 |
R-free | 0.18580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zs9 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.180 | 40.180 | 2.150 |
High resolution limit [Å] | 2.050 | 10.000 | 2.050 |
Rmerge | 0.098 | 0.033 | 0.962 |
Rmeas | 0.100 | 0.034 | 0.985 |
Total number of observations | 827787 | ||
Number of reflections | 40817 | 413 | 5367 |
<I/σ(I)> | 24.13 | 67.39 | 3.84 |
Completeness [%] | 100.0 | 98.8 | 100 |
Redundancy | 20.28 | 15.426 | 21.42 |
CC(1/2) | 0.999 | 0.999 | 0.891 |
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 |