5N04
X-ray crystal structure of an 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 | 2015-01-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 41 3 2 |
| Unit cell lengths | 125.330, 125.330, 125.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.620 - 1.760 |
| R-factor | 0.15981 |
| Rwork | 0.158 |
| R-free | 0.18677 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4eir |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.575 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.810 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmeas | 0.109 | 1.028 |
| Number of reflections | 33938 | 2483 |
| <I/σ(I)> | 36.29 | 2.77 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 40.6 | 14.6 |
| CC(1/2) | 1.000 | 0.819 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 293 | 3.0 M SODIUM CHLORIDE 0.1 M CITRIC ACID PH3.5 |
