7PXR
Room temperature structure of an LPMO.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2019-08-13 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.540 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 126.659, 126.659, 126.659 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.870 - 1.800 |
R-factor | 0.1478 |
Rwork | 0.147 |
R-free | 0.16620 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5ach |
RMSD bond length | 0.014 |
RMSD bond angle | 1.844 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.870 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.047 | 0.509 |
Number of reflections | 32798 | 1930 |
<I/σ(I)> | 43.8 | 4.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 17.2 | 10.2 |
CC(1/2) | 1.000 | 0.925 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 298 | 3.0 M sodium chloride, 0.1 M citric acid pH 3.5 The crystals were soaked in a drop containing 3.0 M sodium chloride, 0.1 M citric acid pH 5.5 for 10 min before mounting |