8C65
Crystal structure of cutinase AdCut from Acidovorax delafieldii (PBS depolymerase)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-01-22 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.798, 96.430, 58.525 |
Unit cell angles | 90.00, 111.03, 90.00 |
Refinement procedure
Resolution | 54.626 - 1.491 |
Rwork | 0.175 |
R-free | 0.21470 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.518 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.626 | 1.594 |
High resolution limit [Å] | 1.491 | 1.491 |
Rmerge | 0.195 | 1.262 |
Rpim | 0.080 | 0.508 |
Number of reflections | 39403 | 1971 |
<I/σ(I)> | 7.1 | 1.5 |
Completeness [%] | 78.1 | 65.5 |
Redundancy | 6.7 | 7 |
CC(1/2) | 0.995 | 0.529 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 % PEG 3350, 0.2 M ammonium citrate dibasic |