5T7K
X-ray crystal structure of AA13 LPMO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-14 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.560, 59.080, 71.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.300 |
| R-factor | 0.09266 |
| Rwork | 0.091 |
| R-free | 0.13484 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4opb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.011 |
| 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 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmeas | 0.082 | 0.433 |
| Number of reflections | 47483 | |
| <I/σ(I)> | 17.81 | 3.59 |
| Completeness [%] | 98.2 | 92.3 |
| Redundancy | 7.52 | 4.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 20%(v/v)PEG3000 0.2M Zn-acetate 0.1 M Malate/MES/TRIS pH5.0 |
