7W45
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | BRUKER METALJET |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-26 |
Detector | Bruker PHOTON III |
Wavelength(s) | 1.34138 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.370, 84.770, 147.512 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.440 - 1.940 |
R-factor | 0.1559 |
Rwork | 0.153 |
R-free | 0.19990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ds7 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.585 |
Data reduction software | SAINT |
Data scaling software | Aimless (0.6.3) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.440 | 24.490 | 1.980 |
High resolution limit [Å] | 1.930 | 9.070 | 1.930 |
Rmerge | 0.113 | 0.057 | 0.317 |
Rmeas | 0.124 | 0.063 | 0.358 |
Rpim | 0.050 | 0.026 | 0.161 |
Total number of observations | 2257 | 9939 | |
Number of reflections | 37746 | 427 | 2190 |
<I/σ(I)> | 10.5 | 17.8 | 3.5 |
Completeness [%] | 97.9 | 94.6 | 86.7 |
Redundancy | 5.7 | 5.3 | 4.5 |
CC(1/2) | 0.994 | 0.994 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 18 % PEG 8000, 0.2 M Calcium acetate hydrate, 0.1 M Sodium cacodylate trihydate |