4CD7
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG and beta-1,4-mannobiose
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 | 2013-05-26 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.472, 76.586, 140.212 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.110 - 1.650 |
| R-factor | 0.15313 |
| Rwork | 0.151 |
| R-free | 0.19617 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3civ |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.405 |
| Data reduction software | xia2 (IMPLEMENTATION OF XDS) |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.590 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.160 | 0.630 |
| Number of reflections | 88667 | |
| <I/σ(I)> | 6.7 | 1.8 |
| Completeness [%] | 97.9 | 78.3 |
| Redundancy | 6.3 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.1 M SODIUM ACETATE PH 4.6, 4% PEG 4000 |
