5W98
Pyridine synthase, PbtD, from GE2270 biosynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.247, 88.132, 44.473 |
| Unit cell angles | 90.00, 109.78, 90.00 |
Refinement procedure
| Resolution | 44.070 - 1.230 |
| R-factor | 0.16363 |
| Rwork | 0.162 |
| R-free | 0.18617 |
| Structure solution method | SAD |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.264 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.100 | 1.250 |
| High resolution limit [Å] | 1.227 | 1.230 |
| Rmerge | 0.091 | 0.827 |
| Rpim | 0.368 | |
| Number of reflections | 90136 | |
| <I/σ(I)> | 10.9 | 2.2 |
| Completeness [%] | 96.5 | 83.9 |
| Redundancy | 6.1 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 282 | 15% MPD, 8% PEG 6K, 0.1 M MES pH 6.5 |
