7DWA
Structure of a novel beta-mannanase BaMan113A with mannotriose, N236Y mutation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 56.114, 109.150, 150.656 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.620 |
R-factor | 0.1477 |
Rwork | 0.146 |
R-free | 0.17490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3civ |
RMSD bond length | 0.012 |
RMSD bond angle | 1.544 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 115136 | 11385 |
<I/σ(I)> | 18.8 | |
Completeness [%] | 99.8 | |
Redundancy | 9.5 | |
CC(1/2) | 0.933 | 0.943 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | Tacsimate pH 7.0 |