5Y52
Crystal Structure of Highly Active BTUO Mutant P287G Improved by Humidity Control at 83% RH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-18 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 132.963, 144.172, 71.063 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.756 - 1.630 |
| R-factor | 0.1741 |
| Rwork | 0.172 |
| R-free | 0.20930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wlv |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.005 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.660 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.119 | 0.585 |
| Rpim | 0.061 | 0.310 |
| Number of reflections | 163621 | 8264 |
| <I/σ(I)> | 8.5 | 2.05 |
| Completeness [%] | 96.0 | 97.3 |
| Redundancy | 4.3 | 4.2 |
| CC(1/2) | 0.611 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M Tris-HCl, 16% PEG 8000, 0.08M K2SO4 |
