5NJN
Roll out the beta-barrel: structure and mechanism of Pac13, a unique nucleoside dehydratase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 66.800, 66.800, 54.710 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 57.850 - 1.600 |
| R-factor | 0.18555 |
| Rwork | 0.184 |
| R-free | 0.20659 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.295 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHENIX (1.9.1692) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.850 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.084 | 0.741 |
| Number of reflections | 19005 | 1384 |
| <I/σ(I)> | 32.7 | 6.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 31.5 | 29.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | 0.1 M Tris pH 8.8, 20% w/v PEG8K, 0.2 M MgCl2 |
