8W7D
Crystal structure of EcPPAT-FR901483 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.980000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 93.181, 114.743, 203.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.854 - 2.810 |
R-factor | 0.2055 |
Rwork | 0.203 |
R-free | 0.26330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.549 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.854 | 2.910 |
High resolution limit [Å] | 2.810 | 2.810 |
Number of reflections | 53956 | 5329 |
<I/σ(I)> | 10.81 | |
Completeness [%] | 99.8 | |
Redundancy | 6.7 | |
CC(1/2) | 0.994 | 0.791 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M potassium thiocyanate, 0.1 M Bis-Tris propane pH 8.5 |