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 |