7ZN6
Crystal structure of laccase-like multicopper oxidase (LMCO) from Thermothelomyces thermophilus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-12-08 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 43 |
Unit cell lengths | 74.855, 74.855, 118.948 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.967 - 1.900 |
Rwork | 0.152 |
R-free | 0.18470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Alphafold 2.0 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.700 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 118.950 | 118.950 | 1.940 |
High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
Rmerge | 0.105 | 0.062 | 1.028 |
Rmeas | 0.114 | 0.067 | 1.126 |
Rpim | 0.043 | 0.025 | 0.456 |
Number of reflections | 51534 | 39344 | 39344 |
<I/σ(I)> | 14.8 | ||
Completeness [%] | 100.0 | ||
Redundancy | 12.9 | 12.7 | 11.9 |
CC(1/2) | 0.999 | 0.997 | 0.886 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M NH4Cl 18% w/v PEG 6000 0.1 M MES pH 5.5 |