5W99
Pyridine synthase, PbtD, from GE2270 biosynthesis bound to TSP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-24 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.250, 66.457, 116.572 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.290 - 1.590 |
| R-factor | 0.16377 |
| Rwork | 0.162 |
| R-free | 0.19874 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w98 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.818 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.370 | 1.600 |
| High resolution limit [Å] | 1.589 | 1.590 |
| Rmerge | 0.132 | 1.203 |
| Rpim | 0.545 | |
| Number of reflections | 46922 | |
| <I/σ(I)> | 14 | 2 |
| Completeness [%] | 99.5 | 95.5 |
| Redundancy | 12 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 282 | 1.9 M lithium sulfate, 2% PEG 400, and 0.1 M Tris pH 8.5 |
