5NO7
Crystal Structure of a Xylan-active Lytic Polysaccharide Monooxygenase from Pycnoporus coccineus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 203.754, 203.754, 110.586 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.470 - 3.010 |
| R-factor | 0.23072 |
| Rwork | 0.230 |
| R-free | 0.24009 |
| Structure solution method | MAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.107 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.470 | 3.120 |
| High resolution limit [Å] | 3.010 | 3.010 |
| Rmerge | 0.091 | 1.039 |
| Rpim | 0.033 | 0.378 |
| Number of reflections | 45765 | 4450 |
| <I/σ(I)> | 15.9 | 2 |
| Completeness [%] | 98.5 | 99.4 |
| Redundancy | 8.3 | 8.6 |
| CC(1/2) | 0.998 | 0.622 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.4 | 293 | AmSO4 2.4 M, citric acid 0.1 M pH 4.4 |
