3UPZ
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-16 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97945 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.270, 72.790, 67.290 |
Unit cell angles | 90.00, 103.49, 90.00 |
Refinement procedure
Resolution | 37.160 - 2.200 |
R-factor | 0.1941 |
Rwork | 0.191 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.890 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.158 | 37.158 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.022 | 0.498 | |
Total number of observations | 3011 | 11374 | |
Number of reflections | 22898 | ||
<I/σ(I)> | 9.5 | 26.7 | 1.3 |
Completeness [%] | 99.1 | 99.4 | 93.6 |
Redundancy | 4 | 3.9 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 24% PEG 3350, 0.250 M ammonium citrate, 5 mM DTT, 2.3 mM UW1243, pH 7.5, vapor diffusion, sitting drop, temperature 298K |