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 |
