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 |