6XRB
Crystal structure of SciW from Salmonella typhimurium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 2018-12-12 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.269, 75.093, 76.599 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.810 - 1.760 |
| R-factor | 0.2002 |
| Rwork | 0.199 |
| R-free | 0.22460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.668 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.810 | 1.850 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmeas | 0.071 | 0.930 |
| Number of reflections | 32309 | 5091 |
| <I/σ(I)> | 14.23 | |
| Completeness [%] | 99.5 | 98.8 |
| Redundancy | 6.95 | |
| CC(1/2) | 0.998 | 0.891 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 22 mg/mL SciW with a 1:1 mixture of 0.1 M Tris HCL pH 8.5, 25% (v/v) PEG 550 MME |
