5K8S
cAMP bound PfPKA-R (297-441)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.280, 71.820, 106.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.027 - 1.150 |
| R-factor | 0.1985 |
| Rwork | 0.198 |
| R-free | 0.21830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rgs |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.311 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.800 | 1.210 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.041 | 0.440 |
| Number of reflections | 104403 | |
| <I/σ(I)> | 9.7 | 1.8 |
| Completeness [%] | 97.2 | 89.5 |
| Redundancy | 7.9 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 277 | 22% w/v Polyethylene glycol 6000, 0.1M LiCl and 0.1M CH3COONa pH 4 |
