5NJO
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) | 0.9797 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 66.490, 66.490, 54.710 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 57.580 - 1.550 |
| R-factor | 0.18099 |
| Rwork | 0.180 |
| R-free | 0.20115 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5njn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.272 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.580 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.059 | 0.776 |
| Number of reflections | 20630 | 2031 |
| <I/σ(I)> | 23.5 | |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 10.9 | 10.6 |
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 |
