9ZAC
Neurospora crassa polysaccharide monooxygenase 9D dose series - pseudohelix 29 (6.41 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 | 67.537, 42.217, 69.530 |
| Unit cell angles | 90.00, 98.94, 90.00 |
Refinement procedure
| Resolution | 44.520 - 1.100 |
| R-factor | 0.1805 |
| Rwork | 0.180 |
| R-free | 0.21010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.957 |
| 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] | 44.520 | 1.110 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.119 | 0.350 |
| Rmeas | 0.147 | 0.406 |
| Rpim | 0.086 | 0.205 |
| Number of reflections | 286637 | 10184 |
| <I/σ(I)> | 5.39 | 0.89 |
| Completeness [%] | 93.0 | 88.6 |
| Redundancy | 3.6 | 3.8 |
| CC(1/2) | 0.958 | 0.843 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291.15 | PEG3350, HEPES |
