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 |