7JR8
H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-07 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.078 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.082, 93.489, 47.913 |
| Unit cell angles | 90.00, 105.52, 90.00 |
Refinement procedure
| Resolution | 32.550 - 1.130 |
| R-factor | 0.1152 |
| Rwork | 0.115 |
| R-free | 0.14330 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.131 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | PHENIX |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.550 | 1.170 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Number of reflections | 129853 | 7258 |
| <I/σ(I)> | 13.11 | |
| Completeness [%] | 84.6 | 49.01 |
| Redundancy | 1.8 | 1.7 |
| CC(1/2) | 0.998 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | Protein buffer 50mM TRIS pH 7.5 50mM NaCl ammneded with 15mM GSH, 5mM MgCl2, 5mM DTT, 1mM EDTA Well Buffer 20-32% PEG 6K, 1% 1,4 DIOXANE, 10mM DTT, 5% EG, 50mM TRIS pH 8.5 |
