6MR6
E. coli cysteine desulfurase SufS H55A with a cysteine persulfide 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 | 2018-06-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 127.016, 127.016, 133.687 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.907 - 2.019 |
R-factor | 0.186 |
Rwork | 0.186 |
R-free | 0.20150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jf9 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3211) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.050 |
High resolution limit [Å] | 2.019 | 5.480 | 2.020 |
Rmerge | 0.126 | 0.045 | 1.135 |
Rmeas | 0.136 | 0.049 | 1.231 |
Rpim | 0.050 | 0.018 | 0.463 |
Number of reflections | 69593 | 3519 | 3450 |
<I/σ(I)> | 9 | ||
Completeness [%] | 96.5 | 89.7 | 97.2 |
Redundancy | 6.3 | 6.6 | 6 |
CC(1/2) | 0.997 | 0.599 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 4-4.5 M sodium chloride, 100 mM MES |