7DEP
S. aureus SsbB with 5-FU
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2020-10-24 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 116.962, 116.962, 77.713 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.093 - 3.094 |
R-factor | 0.2145 |
Rwork | 0.212 |
R-free | 0.27080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5yyu |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.200 |
High resolution limit [Å] | 3.090 | 3.090 |
Rmerge | 0.078 | |
Number of reflections | 6069 | 586 |
<I/σ(I)> | 31.3 | 4.52 |
Completeness [%] | 99.4 | 100 |
Redundancy | 8.9 | 9.1 |
CC(1/2) | 0.935 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6M Ammonium Sulfate, 500mM Lithium Chloride |