6UAU
Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E102A mutant) from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaritriose and laminaribiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-23 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.458 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.991, 79.054, 46.960 |
Unit cell angles | 90.00, 101.77, 90.00 |
Refinement procedure
Resolution | 45.970 - 1.900 |
R-factor | 0.1998 |
Rwork | 0.198 |
R-free | 0.23180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 1.358 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.980 | 2.010 |
High resolution limit [Å] | 1.897 | 1.897 |
Number of reflections | 21936 | 3478 |
<I/σ(I)> | 9.54 | |
Completeness [%] | 99.0 | |
Redundancy | 3.82 | |
CC(1/2) | 0.995 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | Zinc Chloride 0.01 M PEG 6000 15% Sodium acetate 0.1 M |