6AID
Structural insights into the unique polylactate degrading mechanism of Thermobifida alba cutinase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-08 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.265, 68.860, 78.594 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.300 |
R-factor | 0.13451 |
Rwork | 0.133 |
R-free | 0.16465 |
Structure solution method | MIR |
RMSD bond length | 0.030 |
RMSD bond angle | 2.443 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.380 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.121 | |
Number of reflections | 106239 | 17556 |
<I/σ(I)> | 7.41 | 0.91 |
Completeness [%] | 97.6 | 86.7 |
Redundancy | 3.5 | 1.89 |
CC(1/2) | 0.996 | 0.370 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 15-20% (w/v) PEG 3350, 0.2 M sodium acetate, 0.2M2 M calcium chloride, and 0.1 M sodium chloride, pH 8.0 |