6O11
E. coli cysteine desulfurase SufS C364A with a Cys-aldimine intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 126.426, 126.426, 67.087 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.198 - 1.840 |
R-factor | 0.1851 |
Rwork | 0.184 |
R-free | 0.21620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jf9 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3211) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.397 | 89.397 | 1.950 |
High resolution limit [Å] | 1.840 | 5.510 | 1.840 |
Rmerge | 0.082 | 0.064 | 1.867 |
Rmeas | 0.085 | 0.067 | 2.000 |
Total number of observations | 565938 | ||
Number of reflections | 46852 | 1960 | 6782 |
<I/σ(I)> | 15.51 | 38.76 | 0.76 |
Completeness [%] | 98.2 | 99.7 | 89.1 |
Redundancy | 12.079 | 11.414 | 7.525 |
CC(1/2) | 0.999 | 0.997 | 0.496 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20-30% w/v PEG3350, 0.1 M Tris-HCl, 0.2 M magnesium chloride |