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 |
