6CN2
Crystal structure of zebrafish Phosphatidylinositol-4-phosphate 5- kinase alpha isoform D236N with bound ATP/Ca2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2014-10-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 89.036, 89.036, 157.783 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.065 - 3.102 |
| R-factor | 0.2287 |
| Rwork | 0.226 |
| R-free | 0.25880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tz7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.245 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 6.670 | 3.100 |
| Rmerge | 0.118 | 0.063 | |
| Rmeas | 0.121 | 0.065 | |
| Rpim | 0.025 | 0.013 | 0.274 |
| Total number of observations | 343402 | ||
| Number of reflections | 12117 | 1346 | 1178 |
| <I/σ(I)> | 6.3 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 28.3 | 24.3 | 29.4 |
| CC(1/2) | 0.999 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294.15 | 10 mg/ml protein with 2 mM ATP and 10 mM MgCl2, mixed with 14% PEG8000, 100 mM sodium cacodylate, pH 6.5, 160 mM calcium acetate and 20% glycerol |
