8OTA
High resolution crystal structure of a Leaf-branch compost cutinase quadruple variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-12 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 63 |
Unit cell lengths | 110.184, 110.184, 35.582 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.070 - 1.720 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.20350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.851 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.070 | 1.749 |
High resolution limit [Å] | 1.719 | 1.719 |
Rmerge | 0.630 | |
Rmeas | 0.706 | |
Rpim | 0.273 | |
Number of reflections | 26667 | 1350 |
<I/σ(I)> | 12.9 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.8 | 6.4 |
CC(1/2) | 0.997 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 285 | 0.1 M Bicine pH9, 10% PEG20000, 2% dioxane |