3PWD
Crystal structure of maize CK2 in complex with NBC (Z1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID13 |
Synchrotron site | ESRF |
Beamline | ID13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.033 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.410, 60.960, 45.660 |
Unit cell angles | 90.00, 100.19, 90.00 |
Refinement procedure
Resolution | 41.295 - 2.200 |
R-factor | 0.1718 |
Rwork | 0.169 |
R-free | 0.22970 |
Structure solution method | Rigid body |
RMSD bond length | 0.008 |
RMSD bond angle | 1.125 |
Data reduction software | MOSFLM (3.3.16) |
Data scaling software | SCALA (3.3.16) |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 70.082 | 41.295 | 2.320 |
High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
Rmerge | 0.087 | 0.600 | |
Rmeas | 0.118 | 0.793 | |
Rpim | 0.079 | 0.512 | |
Total number of observations | 972 | 4776 | |
Number of reflections | 16400 | ||
<I/σ(I)> | 4.4 | 9.6 | 1.6 |
Completeness [%] | 83.9 | 74 | 87.4 |
Redundancy | 2 | 2.1 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 20% PEG 4000, 0.2M sodium acetate, 0.1M TrisHCl, pH 8, vapor diffusion, sitting drop, temperature 293K |