4R5U
Crystal structure of Rhodostomin R46E 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 | 2013-07-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97512 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 29.010, 74.046, 29.010 |
| Unit cell angles | 90.00, 115.55, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.810 |
| R-factor | 0.16986 |
| Rwork | 0.166 |
| R-free | 0.23648 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.945 |
| 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 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 10307 | |
| <I/σ(I)> | 24.7 | |
| Completeness [%] | 95.8 | 96 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | pH 8.5 0.1M Tris, 0.2M (NH4)2SO4, 25% PEG4000,, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
