5Z27
Crystal structure of highly active BTUO mutant P287G without dehydration
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AichiSR BEAMLINE BL2S1 |
Synchrotron site | AichiSR |
Beamline | BL2S1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-01-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.12 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 70.496, 133.047, 144.717 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.350 - 1.600 |
R-factor | 0.1634 |
Rwork | 0.163 |
R-free | 0.17870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xfp |
RMSD bond length | 0.006 |
RMSD bond angle | 0.842 |
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 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.078 | 0.576 |
Rmeas | 0.088 | 0.664 |
Rpim | 0.040 | 0.322 |
Number of reflections | 85987 | 4405 |
<I/σ(I)> | 15.7 | 2.1 |
Completeness [%] | 95.9 | |
Redundancy | 4.2 | |
CC(1/2) | 0.676 |
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 |