5KBF
cAMP bound PfPKA-R (141-441)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 78.726, 103.797, 104.236 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.458 - 2.000 |
| R-factor | 0.2474 |
| Rwork | 0.245 |
| R-free | 0.28540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k8s |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.256 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.458 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.030 | |
| Rpim | 0.555 | |
| Number of reflections | 58452 | |
| <I/σ(I)> | 12.4 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9 | 9.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Protein at 12 mg/mL were set in a 1:1 ratio against a reservoir consisting of 20% w/v Polyethylene glycol 3350, 0.1M NaF and 0.1M 1,3-bispropane pH 7.5 |
