7RW3
E. coli cysteine desulfurase SufS N99D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-12 |
Detector | RIGAKU HyPix-6000HE |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 124.760, 124.760, 137.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.450 - 2.300 |
R-factor | 0.2071 |
Rwork | 0.206 |
R-free | 0.22510 |
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] | 39.450 | 39.450 | 2.360 |
High resolution limit [Å] | 2.300 | 10.280 | 2.300 |
Rmerge | 0.082 | 0.021 | 0.891 |
Rmeas | 0.086 | 0.023 | 1.032 |
Total number of observations | 477586 | ||
Number of reflections | 48187 | 618 | 3206 |
<I/σ(I)> | 22.99 | 70.5 | 1.32 |
Completeness [%] | 98.8 | 96.1 | 90.2 |
Redundancy | 9.911 | 7.052 | 3.751 |
CC(1/2) | 0.999 | 0.999 | 0.562 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 4-4.5M NaCl, 100 mM MES |