7UEP
PANK3 complex structure with compound PZ-3860
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 | 98.833, 98.833, 68.994 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.370 - 2.000 |
| R-factor | 0.1781 |
| Rwork | 0.176 |
| R-free | 0.21410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b3v |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.964 |
| 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 | 0.080 | 0.805 |
| Number of reflections | 26853 | 1653 |
| <I/σ(I)> | 26.5 | 1.9 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 6.2 | 5.9 |
| CC(1/2) | 0.996 | 0.791 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | PEG 4000, ammonium acetate, citrate |
