5YSW
Crystal Structure Analysis of Rif16 in complex with R-L
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-11-03 |
| Detector | SIEMENS-NICOLET |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.082, 70.709, 80.975 |
| Unit cell angles | 90.00, 94.00, 90.00 |
Refinement procedure
| Resolution | 35.380 - 2.600 |
| R-factor | 0.2085 |
| Rwork | 0.205 |
| R-free | 0.27140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oqs |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.704 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
| High resolution limit [Å] | 2.550 | 5.490 | 2.550 |
| Rmerge | 0.110 | 0.058 | 0.555 |
| Rmeas | 0.120 | 0.064 | 0.609 |
| Rpim | 0.049 | 0.026 | 0.247 |
| Total number of observations | 74314 | ||
| Number of reflections | 12806 | 1338 | 1265 |
| <I/σ(I)> | 5.7 | ||
| Completeness [%] | 98.7 | 99.6 | 99.3 |
| Redundancy | 5.8 | 5.8 | 5.7 |
| CC(1/2) | 0.997 | 0.833 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 277 | Magnesium chloride hexahydrate, PEG 4000 |
