4R5R
Crystal structure of Rhodostomin KKKRT mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-06 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 18.083, 79.986, 39.497 |
| Unit cell angles | 90.00, 91.30, 90.00 |
Refinement procedure
| Resolution | 30.000 - 0.960 |
| R-factor | 0.14868 |
| Rwork | 0.148 |
| R-free | 0.16800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.119 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 0.990 |
| High resolution limit [Å] | 0.960 | 0.960 |
| Number of reflections | 68199 | |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.2M CH3COONH4, 0.1M pH 4.6 CH3COONa, 28% PEG4000, 2% PEG300, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
