8JMO
Structure of a leaf-branch compost cutinase, ICCG in complex with 4-((4-Hydroxybutoxy)carbonyl)benzoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | BRUKER METALJET |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-10 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.34138 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.624, 85.423, 148.064 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.940 - 1.950 |
R-factor | 0.2069 |
Rwork | 0.204 |
R-free | 0.25120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.779 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.940 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.064 | 0.127 |
Number of reflections | 73495 | 1740 |
<I/σ(I)> | 24.96 | 11.91 |
Completeness [%] | 97.2 | 100 |
Redundancy | 8.03 | 7.12 |
CC(1/2) | 1.000 | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | 20% v/v PEG 8000, 0.1 M sodium cacodylate, pH 6.5 |