4NZM
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 5-PA-InsP5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-23 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.623, 111.226, 41.443 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.280 - 2.000 |
R-factor | 0.20027 |
Rwork | 0.198 |
R-free | 0.23145 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3t9b |
RMSD bond length | 0.010 |
RMSD bond angle | 1.296 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CCP4 |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 28028 | |
<I/σ(I)> | 17.4 | 3.2 |
Completeness [%] | 97.4 | 91.3 |
Redundancy | 4.9 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 12% (w/v) PEG 3350, 20 mM MgCl2, 0.1 M HEPES, pH 7.0, 1 mM AMPPNP with 2 mM CdCl2 Soaking under 22% PEG3350, 10 mM MgCl2 0.1 M Sodium Acetate, pH5.2 with 10 mM 5PA-InsP5, 3 days, VAPOR DIFFUSION, HANGING DROP, temperature 277K |