5T7J
X-ray crystal structure of AA13 LPMO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-21 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9334 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.040, 61.490, 73.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.650 |
R-factor | 0.12611 |
Rwork | 0.123 |
R-free | 0.19879 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4opb |
RMSD bond length | 0.018 |
RMSD bond angle | 1.714 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.720 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmeas | 0.088 | 0.706 |
Number of reflections | 26074 | |
<I/σ(I)> | 17.96 | 2.11 |
Completeness [%] | 98.7 | 90.2 |
Redundancy | 6.65 | 4.02 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 20%(v/v)PEG3000 0.2M Zn-acetate 0.1M Malate/MES/TRIS pH5.0 |