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 |