5JN2
Crystal structure of TgCDPK1 bound to NVPACU106
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-12 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.142, 72.473, 65.101 |
Unit cell angles | 90.00, 98.63, 90.00 |
Refinement procedure
Resolution | 48.120 - 2.200 |
R-factor | 0.2347 |
Rwork | 0.233 |
R-free | 0.26910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ih8 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.800 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.043 | 0.024 | 0.698 |
Rmeas | 0.050 | ||
Rpim | 0.024 | ||
Total number of observations | 95997 | ||
Number of reflections | 22622 | ||
<I/σ(I)> | 14.3 | ||
Completeness [%] | 99.9 | 97.9 | 100 |
Redundancy | 4.2 | 4.1 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 25% PEG 8000, 0.2 M NaCl, 0.1 M Hepes pH7.5, 15 % Glycerol |