7QJP
Crystal structure of a cutinase enzyme from Saccharopolyspora flava (611)
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 | 2021-05-06 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.8153 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 89.336, 89.336, 74.324 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 77.367 - 1.561 |
Rwork | 0.141 |
R-free | 0.16530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jfr |
RMSD bond length | 0.017 |
RMSD bond angle | 2.013 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.367 | 1.652 |
High resolution limit [Å] | 1.561 | 1.561 |
Rmerge | 0.140 | 2.153 |
Rpim | 0.034 | 0.548 |
Number of reflections | 40562 | 2028 |
<I/σ(I)> | 12.5 | 1.4 |
Completeness [%] | 94.9 | |
Redundancy | 17.4 | |
CC(1/2) | 0.999 | 0.632 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20 % PEG 3350, 0.2 M sodium fluoride, 0.1 M Bis-Tris propane pH 6.5 |