9Z98
Neurospora crassa polysaccharide monooxygenase 9D dose series - pseudohelix 20 (5.82 MGy)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-03 |
| Detector | MAR CCD 300 mm |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.510, 42.220, 69.551 |
| Unit cell angles | 90.00, 99.00, 90.00 |
Refinement procedure
| Resolution | 34.350 - 1.100 |
| R-factor | 0.1692 |
| Rwork | 0.169 |
| R-free | 0.19180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.178 |
| Data reduction software | DIALS (3.26) |
| Data scaling software | DIALS (3.26) |
| Phasing software | PHENIX (1.21.2_5419) |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.350 | 1.110 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.113 | 0.319 |
| Rmeas | 0.140 | 0.371 |
| Rpim | 0.081 | 0.188 |
| Number of reflections | 289006 | 10329 |
| <I/σ(I)> | 5.78 | 1.07 |
| Completeness [%] | 93.8 | 90.01 |
| Redundancy | 3.6 | 3.8 |
| CC(1/2) | 0.961 | 0.829 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291.15 | PEG 3350, HEPES |
