5MQM
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 | 2016-03-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.050, 84.810, 120.630 |
Unit cell angles | 90.00, 99.20, 90.00 |
Refinement procedure
Resolution | 50.690 - 2.110 |
R-factor | 0.20064 |
Rwork | 0.199 |
R-free | 0.24026 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | apo model |
RMSD bond length | 0.011 |
RMSD bond angle | 1.502 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.690 | 2.160 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.088 | 0.818 |
Number of reflections | 75602 | |
<I/σ(I)> | 9.9 | 1.5 |
Completeness [%] | 98.9 | 98.9 |
Redundancy | 3.6 | 3.6 |
CC(1/2) | 0.995 | 0.548 |
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 7.56 6mM D-rhamnopyranose tetrazole |