5M03
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin and 1,2-alpha-mannobiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | I 4 |
Unit cell lengths | 108.033, 108.033, 67.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.210 - 1.050 |
R-factor | 0.11581 |
Rwork | 0.115 |
R-free | 0.13339 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | modified 4UTF |
RMSD bond length | 0.013 |
RMSD bond angle | 1.673 |
Data reduction software | DIALS |
Data scaling software | Aimless (0.5.21) |
Phasing software | REFMAC (5.8.0135) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.210 | 1.070 |
High resolution limit [Å] | 1.050 | 1.050 |
Rmerge | 0.054 | 1.314 |
Number of reflections | 178974 | |
<I/σ(I)> | 10.8 | 0.7 |
Completeness [%] | 99.3 | 89.1 |
Redundancy | 5.9 | 2.7 |
CC(1/2) | 0.999 | 0.308 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 292 | 3 M sodium acetate, pH 7.2 |