3ION
PDK1 in complex with Compound 8h
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2005-10-10 |
Detector | RIGAKU SATURN 92 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 123.368, 123.368, 47.265 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.710 - 2.400 |
R-factor | 0.2464 |
Rwork | 0.245 |
R-free | 0.28179 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.026 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 100.000 |
High resolution limit [Å] | 2.400 |
Number of reflections | 15542 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 293 | VAPOR DIFFUSION, HANGING DROP, pH 8.6, temperature 293K |