8J5L
Structure of GH1 Br2 beta-glucosidase E163Q mutant from bovine rumen metagenome
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.489, 113.416, 180.493 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.139 - 2.095 |
Rwork | 0.227 |
R-free | 0.26130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.249 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.220 |
High resolution limit [Å] | 2.095 | 2.095 |
Rmeas | 0.109 | 1.008 |
Number of reflections | 115105 | 19661 |
<I/σ(I)> | 10.25 | 1.55 |
Completeness [%] | 90.3 | 96.4 |
Redundancy | 4.9 | 4.8 |
CC(1/2) | 0.997 | 0.625 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | 0.1M sodium acetate trihydrate pH 7.4, 1.6M ammonium sulfate |