7PU1
High resolution X-ray structure of Thermoascus aurantiacus LPMO
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9538 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.653, 89.046, 70.470 |
| Unit cell angles | 90.00, 103.33, 90.00 |
Refinement procedure
| Resolution | 37.370 - 1.060 |
| Rwork | 0.117 |
| R-free | 0.11851 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yet |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.304 |
| Data reduction software | XDS |
| Data scaling software | TRUNCATE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.340 | 1.100 |
| High resolution limit [Å] | 1.060 | 1.060 |
| Rmeas | 0.054 | 0.440 |
| Number of reflections | 171807 | 12524 |
| <I/σ(I)> | 18.57 | 3.6 |
| Completeness [%] | 84.2 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.990 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 20m M MgCl2 and 22 %(w/v) polyacrylic acid 5100 sodium salt |
