5MC8
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal and alpha-1,2-mannobiose
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 | 2015-05-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | I 4 |
Unit cell lengths | 108.624, 108.624, 67.692 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.450 - 1.180 |
R-factor | 0.13714 |
Rwork | 0.136 |
R-free | 0.15749 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | modified 4UTF |
RMSD bond length | 0.010 |
RMSD bond angle | 1.458 |
Data reduction software | DIALS (1.0-0-g66ac5d4) |
Data scaling software | Aimless (0.5.21) |
Phasing software | REFMAC (5.8.0135) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.450 | 1.200 |
High resolution limit [Å] | 1.180 | 1.180 |
Rmerge | 0.052 | 0.790 |
Number of reflections | 128509 | |
<I/σ(I)> | 9.1 | 0.9 |
Completeness [%] | 99.7 | 95.5 |
Redundancy | 4.4 | 4 |
CC(1/2) | 0.998 | 0.706 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 292 | 3 M sodium acetate, pH 7.4 |