4CD6
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-19 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.920, 76.160, 93.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.870 - 1.640 |
| R-factor | 0.14651 |
| Rwork | 0.143 |
| R-free | 0.20828 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3civ |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.363 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.870 | 1.690 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.070 | 0.610 |
| Number of reflections | 39738 | |
| <I/σ(I)> | 12.7 | 2.5 |
| Completeness [%] | 99.4 | 99.1 |
| Redundancy | 6.3 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.1 M SODIUM ACETATE PH 4.6, 4% PEG 4000 |
