6CPT
crystal structure of yeast caPDE2 in complex with IBMX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 138.190, 73.639, 64.954 |
Unit cell angles | 90.00, 108.49, 90.00 |
Refinement procedure
Resolution | 65.530 - 1.900 |
R-factor | 0.19083 |
Rwork | 0.190 |
R-free | 0.21294 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.976 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.530 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 47636 | |
<I/σ(I)> | 14.5 | |
Completeness [%] | 97.4 | |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 297 | The 10-15 mg/ml full length caPDE2 (1-571) was stored in a buffer of 20 mM Tris.base, pH 7.5, 50 mM NaCl, 1 mM 2-mercaptoethanol, 1 mM EDTA and crystallized at room temperature by hanging drop against a well buffer of 50 mM MES, pH 6.5, 0.1 M ammonium sulfate, 6-10% PEG8000, or a buffer of 50 mM Na citrate pH 5.6, 0.1 M ammonium acetate, 5% glycerol, and 6-10% PEG3350. The caPDE2-IBMX complex was prepared by soaking the native crystal s in the crystallization buffer with 10 mM IBMX |