9R4Q
Crystal structure of CtGH76 from Chaetomium thermophilum in complex with alpha-1,3-1,6-mannotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-09-22 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 107.099, 107.099, 126.544 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.540 - 2.700 |
R-factor | 0.1991 |
Rwork | 0.197 |
R-free | 0.23310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.662 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.540 | 2.796 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 23467 | 2307 |
<I/σ(I)> | 15.45 | 1.48 |
Completeness [%] | 99.5 | |
Redundancy | 20.4 | |
CC(1/2) | 0.998 | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 3.6 M sodium formate 10% (v/v) glycerol |