9D8S
Crystal Structure of calcium-dependent protein kinase 1 (CDPK1) from Cryptosporidium parvum (AMP/Mg bound)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-08-03 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.746, 55.746, 81.954 |
Unit cell angles | 90.00, 105.64, 90.00 |
Refinement procedure
Resolution | 57.530 - 2.120 |
R-factor | 0.2103 |
Rwork | 0.209 |
R-free | 0.24330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.789 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21rc1_5156: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.920 | 2.180 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.082 | 0.989 |
Rmeas | 0.092 | 1.107 |
Rpim | 0.041 | 0.491 |
Total number of observations | 145293 | 10505 |
Number of reflections | 29675 | 2147 |
<I/σ(I)> | 9.9 | 1.7 |
Completeness [%] | 99.9 | |
Redundancy | 4.9 | 4.9 |
CC(1/2) | 0.998 | 0.633 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 25% (w/v) PEG3350, 0.2M diammonium tartrate. CrpaA.01010.b.GT4.PW39259 at 15 mg/mL. Cocrystallized with 5mM AMP, 4mM MgCl2 and 2mM CaCl2. Plate: Liu-S-131 A10, Puck: PSL-1109, Cryo: 20% (v/v) PEG 200 + 80% (w/v) crystallant |