5MQN
Glycoside hydrolase BT_0986
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 | 2015-05-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.913 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.291, 85.758, 120.870 |
Unit cell angles | 90.00, 98.78, 90.00 |
Refinement procedure
Resolution | 49.170 - 1.900 |
R-factor | 0.17543 |
Rwork | 0.174 |
R-free | 0.20512 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.523 |
Data reduction software | XDS (5.8.0155) |
Data scaling software | Aimless |
Phasing software | SHELXCD |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.170 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.076 | 0.653 |
Number of reflections | 101961 | |
<I/σ(I)> | 9.7 | 1.7 |
Completeness [%] | 99.7 | 99.1 |
Redundancy | 3.7 | 3.2 |
CC(1/2) | 0.996 | 0.671 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 15% (w/v) PEG 550 MME, 15% (w/v) PEG 20000, 0.25 M rahmnose, 50mM hepes and 50 mm MOPS pH 7.5 |