9Z94
Neurospora crassa polysaccharide monooxygenase 9D dose series - pseudohelix 16 (5.33 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 | 67.562, 42.224, 69.564 |
| Unit cell angles | 90.00, 98.96, 90.00 |
Refinement procedure
| Resolution | 44.530 - 1.100 |
| R-factor | 0.1771 |
| Rwork | 0.177 |
| R-free | 0.19970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.818 |
| 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] | 44.530 | 1.110 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.118 | 0.338 |
| Rmeas | 0.146 | 0.392 |
| Rpim | 0.085 | 0.199 |
| Number of reflections | 289601 | 10327 |
| <I/σ(I)> | 5.32 | 0.88 |
| Completeness [%] | 93.9 | 89.93 |
| Redundancy | 3.6 | 3.8 |
| CC(1/2) | 0.957 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291.15 | PEG 3350, HEPES |
