6B18
Crystal structure of PPK3 Class III in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 111.475, 111.475, 175.733 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 94.130 - 2.300 |
| R-factor | 0.1933 |
| Rwork | 0.191 |
| R-free | 0.24101 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.544 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.080 | 1.540 |
| Rpim | 0.023 | 0.430 |
| Number of reflections | 24690 | 1215 |
| <I/σ(I)> | 32.8 | 2.3 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 14.3 | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 292 | 0.1 M phosphate citrate pH 4.2 40% PEG 300 |
