6THT
High resolution crystal structure of a Leaf-branch compost cutinase quintuple variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 63 |
Unit cell lengths | 109.413, 109.413, 35.183 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 94.750 - 1.140 |
R-factor | 0.1143 |
Rwork | 0.113 |
R-free | 0.13650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4eb0 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.844 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 94.750 | 1.160 |
High resolution limit [Å] | 1.140 | 1.140 |
Rmerge | 1.051 | |
Rmeas | 0.102 | |
Rpim | 0.364 | |
Number of reflections | 87457 | 4356 |
<I/σ(I)> | 11.2 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.5 | 9.2 |
CC(1/2) | 0.744 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 285 | 0.1 M Imidazole, 1 M Sodium Citrate |