6CC7
Structure of Fungal GH62 from Thielavia terretris
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-03 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.45863 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 75.267, 79.747, 82.922 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.480 - 1.870 |
R-factor | 0.15019 |
Rwork | 0.147 |
R-free | 0.19533 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4o8n |
RMSD bond length | 0.014 |
RMSD bond angle | 1.628 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.480 | 1.910 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.071 | 0.386 |
Rmeas | 0.086 | 0.522 |
Rpim | 0.045 | 0.349 |
Number of reflections | 20946 | 1318 |
<I/σ(I)> | 11.9 | 2.2 |
Completeness [%] | 99.8 | 97.4 |
Redundancy | 5.5 | 2.8 |
CC(1/2) | 0.998 | 0.838 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 0.1 M sodium acetate, 2 M ammonium sulfate |