4CD8
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManMIm
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 | 2012-09-28 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.820, 75.890, 91.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.410 - 1.470 |
| R-factor | 0.17274 |
| Rwork | 0.170 |
| R-free | 0.21511 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3civ |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.508 |
| Data reduction software | xia2 (IMPLEMENTATION OF XDS) |
| Data scaling software | xia2 (IMPLEMENTATION OF AIMLESS) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.410 | 1.510 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.060 | 0.710 |
| Number of reflections | 52176 | |
| <I/σ(I)> | 14 | 2.6 |
| Completeness [%] | 99.7 | 99 |
| Redundancy | 6.3 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.1 M SODIUM ACETATE PH 4.6, 4% PEG 4000 |
