6EPB
Structure of Chitinase 42 from Trichoderma harzianum
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 | 2016-10-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97929 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 68.353, 68.353, 178.279 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.820 - 1.750 |
R-factor | 0.18563 |
Rwork | 0.184 |
R-free | 0.21908 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3g6l |
RMSD bond length | 0.009 |
RMSD bond angle | 1.308 |
Data reduction software | XDS (0.52) |
Data scaling software | Aimless (7.0.029) |
Phasing software | MOLREP (7.0.029) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.350 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.074 | 0.601 |
Rmeas | 0.081 | 0.651 |
Rpim | 0.032 | 0.249 |
Number of reflections | 43534 | 2325 |
<I/σ(I)> | 16.9 | 3.6 |
Completeness [%] | 99.8 | 99.3 |
Redundancy | 6.4 | 6.6 |
CC(1/2) | 0.998 | 0.867 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 22% PEG 3000, 0.1 M Imidazole pH 8, 0.2 M Zinc acetate. Cryoprotectant mother liquor supplemented with 20 % ethylene glycol |