7W1N
Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | BRUKER METALJET |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-13 |
Detector | Bruker PHOTON III |
Wavelength(s) | 1.34138 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.307, 60.442, 81.947 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.940 - 1.880 |
R-factor | 0.1387 |
Rwork | 0.137 |
R-free | 0.16520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ds7 |
Data reduction software | SAINT |
Data scaling software | Aimless (0.6.3) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.940 | 24.820 | 1.910 |
High resolution limit [Å] | 1.880 | 8.970 | 1.880 |
Rmerge | 0.095 | 0.030 | 0.354 |
Rmeas | 0.106 | 0.033 | 0.406 |
Rpim | 0.046 | 0.015 | 0.192 |
Number of reflections | 18984 | 213 | 981 |
<I/σ(I)> | 13.5 | ||
Completeness [%] | 97.4 | 96.2 | 80 |
Redundancy | 5.1 | 4.4 | 4.2 |
CC(1/2) | 0.996 | 0.999 | 0.904 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.3 | 298 | 25% PEG Smear Medium, o.1 M Bicine pH 9.3 |