7D8J
S. aureus SsbB with 5-FU
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2020-08-01 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 116.366, 116.366, 78.538 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.341 - 2.880 |
R-factor | 0.1967 |
Rwork | 0.194 |
R-free | 0.25680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5yyu |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.970 |
High resolution limit [Å] | 2.870 | 2.870 |
Rmerge | 0.078 | 0.552 |
Number of reflections | 7408 | 724 |
<I/σ(I)> | 42.16 | 9.05 |
Completeness [%] | 98.6 | |
Redundancy | 13.5 | |
CC(1/2) | 0.973 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.6M Ammonium Sulfate, 500mM Lithium Chloride |