6B3V
PANK3 complex with compound PZ-2891
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 | CCD |
| Collection date | 2016-06-07 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 98.874, 98.874, 69.117 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.364 - 1.601 |
| R-factor | 0.1785 |
| Rwork | 0.178 |
| R-free | 0.19520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sms |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.977 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.364 | 1.640 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.061 | 0.728 |
| Number of reflections | 51488 | 3594 |
| <I/σ(I)> | 34.6 | 1.7 |
| Completeness [%] | 99.7 | 98.7 |
| Redundancy | 6.8 | 4.4 |
| CC(1/2) | 0.712 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291.15 | PEG 4000, ammonium acetate, citrate |
