7CY3
Crystal structure of a biodegradable plastic-degrading cutinase from Paraphoma sp. B47-9.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 34.886, 43.517, 51.724 |
Unit cell angles | 103.78, 92.42, 101.49 |
Refinement procedure
Resolution | 36.690 - 1.270 |
R-factor | 0.1265 |
Rwork | 0.124 |
R-free | 0.17680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cex |
RMSD bond length | 0.016 |
RMSD bond angle | 1.989 |
Data reduction software | xia2 (0.6.0) |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.720 | 36.690 | 1.290 |
High resolution limit [Å] | 1.270 | 6.950 | 1.270 |
Rmerge | 0.075 | 0.032 | 0.440 |
Rmeas | 0.087 | 0.038 | 0.515 |
Rpim | 0.044 | 0.020 | 0.266 |
Total number of observations | 1602 | 11491 | |
Number of reflections | 68333 | 430 | 3138 |
<I/σ(I)> | 13.3 | 38 | 3 |
Completeness [%] | 89.5 | 92.9 | 82.3 |
Redundancy | 3.9 | 3.7 | 3.7 |
CC(1/2) | 0.998 | 0.997 | 0.819 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M Sodium acetate, 0.1M Sodium cacodylate, 1mM Calcium chloride, 30% w/v Polyethylene glycol 8000 |