5BTU
The structure of Diels-Alderase PyrI4 in the biosynthetic pathway of pyrroindomycins
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 32 |
| Unit cell lengths | 47.379, 47.379, 131.209 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.161 - 2.503 |
| R-factor | 0.1835 |
| Rwork | 0.180 |
| R-free | 0.25060 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.753 |
| Phasing software | PHENIX (1.8.2_1309) |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.091 | 0.969 |
| Number of reflections | 11339 | |
| <I/σ(I)> | 43.45 | 7.62 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 10.1 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | PEG 1000, Tris-HCl |
