5Z2B
Crystal structure of highly active BTUO mutant P287G Improved by Humidity Control at 86% 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 | 2017-07-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 71.351, 133.356, 145.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.043 - 1.901 |
| R-factor | 0.1736 |
| Rwork | 0.172 |
| R-free | 0.21690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xfp |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.802 |
| 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 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.069 | 0.642 |
| Rmeas | 0.076 | 0.722 |
| Rpim | 0.031 | 0.324 |
| Number of reflections | 50914 | 2456 |
| <I/σ(I)> | 17.7 | 2.2 |
| Completeness [%] | 93.3 | 91.3 |
| Redundancy | 5.4 | 4.4 |
| CC(1/2) | 0.820 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 288 | 16% PEG 8000, 0.1 M Tris-HCl, 0.08 M K2SO4, 2 mM 8-azaxthantine |
