5N05
X-ray crystal structure of an LPMO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-16 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.965 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 124.640, 124.640, 124.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.070 - 1.580 |
| R-factor | 0.17662 |
| Rwork | 0.176 |
| R-free | 0.19657 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eir |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.759 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.070 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmeas | 0.064 | 1.570 |
| Number of reflections | 45794 | 4425 |
| <I/σ(I)> | 16.5 | 1.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.9 | 5.6 |
| CC(1/2) | 0.999 | 0.406 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 293 | 3.4 M NaCl 0.1 M citric acid pH 3.5 |
