4M97
Calcium-Dependent Protein Kinase 1 from Neospora caninum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-06-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97939 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.060, 72.690, 65.750 |
| Unit cell angles | 90.00, 96.98, 90.00 |
Refinement procedure
| Resolution | 60.000 - 2.050 |
| R-factor | 0.2064 |
| Rwork | 0.203 |
| R-free | 0.26320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.431 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.1.29) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.263 | 65.260 | 2.110 |
| High resolution limit [Å] | 2.050 | 8.940 | 2.050 |
| Rmerge | 0.107 | 0.014 | 0.014 |
| Total number of observations | 1314 | 8335 | |
| Number of reflections | 27308 | ||
| <I/σ(I)> | 6.3 | 20.8 | 0.9 |
| Completeness [%] | 96.6 | 94.7 | 97.7 |
| Redundancy | 3.9 | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | protein solution: 25 mM HEPES pH 7.0, 0.5 M NaCl, 5% glycerol, 5 mM DTT, 20 mM EGTA, 3mg/ml protein; crystallization buffer: 30% PEG 3350, 0.2 M ammonium citrate, 0.1 M BisTris pH 5.3, 5 mM DTT, vapor diffusion, sitting drop, temperature 298K |
