6FAR
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-mannoimidazole
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 | 2017-07-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | I 4 |
Unit cell lengths | 108.619, 108.619, 67.766 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.810 - 1.300 |
R-factor | 0.13537 |
Rwork | 0.134 |
R-free | 0.16168 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m17 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.497 |
Data reduction software | DIALS (1.6.3-g2108d754-release) |
Data scaling software | Aimless (0.5.32) |
Phasing software | REFMAC (5.8.0158) |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.810 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.054 | 1.224 |
Rmeas | 0.057 | 1.376 |
Rpim | 0.020 | 0.754 |
Number of reflections | 96147 | 4400 |
<I/σ(I)> | 14 | |
Completeness [%] | 99.5 | 92.7 |
Redundancy | 7.5 | 4.6 |
CC(1/2) | 0.999 | 0.486 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 292 | 3 M sodium acetate, pH 7.4 |