7CEO
Crystal structure of PMP-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 | 92.780, 92.780, 128.810 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.390 - 2.430 |
R-factor | 0.177 |
Rwork | 0.176 |
R-free | 0.20350 |
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] | 46.390 | 46.390 | 2.530 |
High resolution limit [Å] | 2.430 | 10.000 | 2.430 |
Rmerge | 0.169 | 0.085 | 0.949 |
Rmeas | 0.176 | 0.089 | 0.985 |
Total number of observations | 337305 | ||
Number of reflections | 24722 | 412 | 2761 |
<I/σ(I)> | 11.83 | 24.36 | 3.1 |
Completeness [%] | 100.0 | 98.6 | 100 |
Redundancy | 13.644 | 10.985 | 14.309 |
CC(1/2) | 0.995 | 0.994 | 0.810 |
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 |