6O12
E. coli cysteine desulfurase SufS H123A
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 | 127.280, 127.280, 134.163 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.402 - 2.050 |
R-factor | 0.1951 |
Rwork | 0.195 |
R-free | 0.21590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jf9 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.090 |
High resolution limit [Å] | 2.050 | 5.560 | 2.050 |
Rmerge | 0.160 | 0.055 | 2.559 |
Rmeas | 0.175 | 0.060 | 2.822 |
Rpim | 0.068 | 0.023 | 1.167 |
Total number of observations | 463185 | ||
Number of reflections | 69256 | 3730 | 3408 |
<I/σ(I)> | 6.2 | ||
Completeness [%] | 99.8 | 98.6 | 99.8 |
Redundancy | 6.7 | 6.2 | 6.1 |
CC(1/2) | 0.997 | 0.457 |
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 |