5MQP
Glycoside hydrolase BT_1002
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 208.230, 133.238, 224.077 |
Unit cell angles | 90.00, 97.67, 90.00 |
Refinement procedure
Resolution | 49.160 - 2.000 |
R-factor | 0.18462 |
Rwork | 0.183 |
R-free | 0.22397 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3WKX and 4QJY |
RMSD bond length | 0.013 |
RMSD bond angle | 1.634 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.160 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.072 | 0.914 |
Number of reflections | 406952 | |
<I/σ(I)> | 9.8 | 1.4 |
Completeness [%] | 99.8 | 70.8 |
Redundancy | 3.9 | 3.6 |
CC(1/2) | 0.997 | 0.708 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 10% (w/v) PEG 3350, 0.1 M Hepes pH 7.5 and 0.2 M L-Proline |