3ZMR
Bacteroides ovatus GH5 xyloglucanase in complex with a XXXG heptasaccharide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-04-21 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.830, 147.240, 84.140 |
Unit cell angles | 90.00, 92.84, 90.00 |
Refinement procedure
Resolution | 72.990 - 1.430 |
R-factor | 0.1241 |
Rwork | 0.122 |
R-free | 0.15722 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jep |
RMSD bond length | 0.011 |
RMSD bond angle | 1.462 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.990 | 1.470 |
High resolution limit [Å] | 1.430 | 1.430 |
Rmerge | 0.060 | 0.580 |
Number of reflections | 207943 | |
<I/σ(I)> | 12.2 | 2.2 |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1 M BIS-TRIS PH 6.5, 20% W/V POLYETHYLENE GLYCOL MONOMETHYL ETHER 5,000 |