7UE8
PANK3 complex structure with compound PZ-3890
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 98.571, 98.571, 68.941 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.260 - 2.010 |
| R-factor | 0.1758 |
| Rwork | 0.174 |
| R-free | 0.19950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b3v |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.880 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.069 | 0.950 |
| Number of reflections | 26128 | 1601 |
| <I/σ(I)> | 26.5 | 1.3 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 5.7 | 5.1 |
| CC(1/2) | 0.996 | 0.689 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | PEG 4000, ammonium acetate, citrate |
