4XW6
X-ray structure of PKAc with ADP, free phosphate ion, CP20, magnesium ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-03-29 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.304, 79.228, 97.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| R-free | 0.26460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dh3 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.032 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.042 | 0.389 |
| Number of reflections | 32017 | |
| <I/σ(I)> | 30.15 | 2.5 |
| Completeness [%] | 98.6 | 91.9 |
| Redundancy | 3.8 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM MES pH 6.5, 5 mM DTT, 15-20% PEG 4000 |
