7ZY9
Structure of D165A/D167A double mutant of Chit33 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 | 2018-03-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979180 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.421, 66.776, 76.445 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.780 - 1.600 |
R-factor | 0.1487 |
Rwork | 0.148 |
R-free | 0.16840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uy2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.498 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP (7.0.038) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.780 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.083 | 0.623 |
Rmeas | 0.090 | |
Rpim | 0.035 | 0.255 |
Number of reflections | 44920 | 2190 |
<I/σ(I)> | 12.8 | 3.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.6 | 6.8 |
CC(1/2) | 0.997 | 0.883 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 30% PEG 1500, 20% glycerol. Soaking conditions: 32% PEG 1500, 18% glycerol, 18 mM chitintetraose. |