6UY5
E. coli cysteine desulfurase SufS with a spontaneously rotated beta-hairpin
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 | 2019-03-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.540, 115.740, 63.660 |
Unit cell angles | 90.00, 114.47, 90.00 |
Refinement procedure
Resolution | 32.253 - 1.501 |
R-factor | 0.1972 |
Rwork | 0.197 |
R-free | 0.22060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 1jf9 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.253 | 32.253 | 1.540 |
High resolution limit [Å] | 1.500 | 6.710 | 1.500 |
Rmerge | 0.064 | 0.023 | 1.273 |
Rmeas | 0.077 | 0.027 | 1.519 |
Total number of observations | 415026 | ||
Number of reflections | 125851 | 1446 | 9275 |
<I/σ(I)> | 10.92 | 38.85 | 0.9 |
Completeness [%] | 99.0 | 98 | 99.2 |
Redundancy | 3.298 | 3.337 | 3.347 |
CC(1/2) | 0.998 | 0.999 | 0.303 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2 M MgCl2, 0.1M Bis-Tris HCl pH 5.5, 23.3% w/v PEG3350 |