5N0Y
hPAD4 crystal complex with AFM-30a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 173 |
| Detector technology | PIXEL |
| Collection date | 2015-11-05 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.556, 60.929, 115.656 |
| Unit cell angles | 90.00, 124.69, 90.00 |
Refinement procedure
| Resolution | 95.100 - 2.230 |
| R-factor | 0.18011 |
| Rwork | 0.178 |
| R-free | 0.22717 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.824 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.310 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Number of reflections | 41587 | 4101 |
| <I/σ(I)> | 12.7 | 1.64 |
| Completeness [%] | 95.5 | 71.7 |
| Redundancy | 3.07 | 1.67 |
| CC(1/2) | 0.998 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 283 | 0.1 imidazole pH7.5, 0.2mM LiSO4, 8-11% PEG3350 |
