5NKW
X-ray crystal structure of an AA9 LPMO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.96862 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 125.290, 125.290, 125.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.480 |
R-factor | 0.12566 |
Rwork | 0.123 |
R-free | 0.17043 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ach |
RMSD bond length | 0.026 |
RMSD bond angle | 2.337 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.520 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmeas | 0.133 | 3.240 |
Number of reflections | 56345 | 7879 |
<I/σ(I)> | 24.72 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 37.59 | 25.33 |
CC(1/2) | 1.000 | 0.577 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 298 | 3.3 M NaCl, 0.1 M citric acid pH3.5, (Soaked in pH 5.5) |