4D4A
Structure of the catalytic domain (BcGH76) of the Bacillus circulans GH76 alpha mannanase, Aman6.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-11 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.843, 85.419, 102.024 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.490 - 1.400 |
R-factor | 0.11786 |
Rwork | 0.116 |
R-free | 0.15423 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k7x |
RMSD bond length | 0.008 |
RMSD bond angle | 1.256 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.800 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.070 | 1.370 |
Number of reflections | 141868 | |
<I/σ(I)> | 16.7 | 1.7 |
Completeness [%] | 98.4 | 96.3 |
Redundancy | 8.3 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 0.1 M AMMONIUM NITRATE, PH 6.5, 20% PEG 3350 |