8JMP
Structure of a leaf-branch compost cutinase, ICCG in complex with 1,4-butanediol terephthalate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | BRUKER METALJET |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-28 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.34138 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.190, 84.928, 147.979 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.620 - 1.900 |
R-factor | 0.1558 |
Rwork | 0.154 |
R-free | 0.19550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.790 |
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 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.058 | 0.144 |
Number of reflections | 78612 | 1906 |
<I/σ(I)> | 25.33 | 6.26 |
Completeness [%] | 99.4 | |
Redundancy | 9.23 | |
CC(1/2) | 1.000 | 0.989 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 298 | 20% v/v PEG 8000 and 0.1 M sodium cacodylate, pH 6.5 |