6AYD
Pim1 complexed with N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2006-08-09 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | P 65 |
Unit cell lengths | 97.300, 97.300, 80.221 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 3.000 |
R-factor | 0.1707 |
Rwork | 0.168 |
R-free | 0.22970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bik |
RMSD bond length | 0.011 |
RMSD bond angle | 1.439 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.078 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.130 | 0.540 |
Number of reflections | 7834 | 385 |
<I/σ(I)> | 15 | |
Completeness [%] | 94.0 | 63 |
Redundancy | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 1M succinate pH 7.0, 0.1M BisTrisPropane, 1% 1,6-hexanediol |