6YN4
Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitintetraose.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979240 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 68.352, 68.352, 177.757 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.380 - 1.820 |
R-factor | 0.1813 |
Rwork | 0.180 |
R-free | 0.21130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6epb |
RMSD bond length | 0.006 |
RMSD bond angle | 1.478 |
Data reduction software | XDS |
Data scaling software | Aimless (7.0.057) |
Phasing software | MOLREP (7.0.077) |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.380 | 1.860 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.107 | 0.701 |
Rmeas | 0.117 | 0.758 |
Rpim | 0.045 | 0.286 |
Number of reflections | 38716 | 2258 |
<I/σ(I)> | 14.2 | 4.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.5 | 6.7 |
CC(1/2) | 0.997 | 0.917 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 15 PEG 3000, 0.2 M Zinc Acetate, 0.1 M imidazole pH 8, 3% MPD Co-crystallization 2mM EDTA, 20mM chitintetraose. Cryoprotectant mother liquor supplemented with 20% PEG 400, 5 mM chitintetraose, 2 mM EDTA. |