7MPW
CmcB from Type II Cut MCP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-12-13 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.230, 52.400, 61.160 |
| Unit cell angles | 107.42, 96.58, 101.96 |
Refinement procedure
| Resolution | 57.300 - 3.001 |
| R-factor | 0.2248 |
| Rwork | 0.221 |
| R-free | 0.25670 |
| Structure solution method | MAD |
| Starting model (for MR) | 4qiv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.8.3) |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 57.300 | 57.300 | 3.080 |
| High resolution limit [Å] | 3.000 | 13.420 | 3.000 |
| Rmerge | 0.093 | 0.027 | 0.602 |
| Rmeas | 0.108 | 0.032 | 0.702 |
| Total number of observations | 31090 | ||
| Number of reflections | 8055 | 89 | 587 |
| <I/σ(I)> | 12.3 | 37.03 | 2.32 |
| Completeness [%] | 97.1 | 97.8 | 90.4 |
| Redundancy | 3.86 | 3.562 | 3.683 |
| CC(1/2) | 0.998 | 0.999 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 294 | 1.0 M Sodium acetate trihydrate, 0.1 M Imidazole pH 6.5 |
