7RRN
E. coli cysteine desulfurase SufS R56A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-06 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 127.150, 127.150, 133.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.790 - 2.300 |
R-factor | 0.2073 |
Rwork | 0.206 |
R-free | 0.23070 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | pdbid 6mr2 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.790 | 31.790 | 2.360 |
High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
Rmerge | 0.068 | 0.023 | 0.688 |
Rmeas | 0.071 | 0.024 | 0.838 |
Total number of observations | 529845 | ||
Number of reflections | 48365 | 627 | 3276 |
<I/σ(I)> | 25.93 | 69.6 | 1.4 |
Completeness [%] | 98.5 | 96.6 | 91.5 |
Redundancy | 10.955 | 8.675 | 2.784 |
CC(1/2) | 0.999 | 1.000 | 0.631 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 4-4.5M NaCl, 100 mM MES |