6YLJ
Structure of D169A/E171A double mutant of chitinase Chit42 from Trichoderma harzianum complexed with chitinhexaose.
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 | 2018-12-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979300 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 68.160, 68.160, 178.864 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.240 - 1.750 |
R-factor | 0.1653 |
Rwork | 0.164 |
R-free | 0.19640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6epb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.489 |
Data reduction software | XDS |
Data scaling software | Aimless (7.0.066) |
Phasing software | MOLREP (7.0.066) |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.240 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.082 | 0.678 |
Rmeas | 0.088 | 0.732 |
Rpim | 0.032 | 0.270 |
Number of reflections | 43306 | 2325 |
<I/σ(I)> | 16.9 | 3.7 |
Completeness [%] | 99.7 | 100 |
Redundancy | 7.3 | 7 |
CC(1/2) | 0.998 | 0.873 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 19% PEG 3000, 0.1M Zinc acetate, 0.1M Zinc chloride, 0.1M imidazole pH8. Soaking 30mM chitinhexaose. |