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 |