2O64
Crystal structure of Pim1 with Quercetagetin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.10000 |
Spacegroup name | P 65 |
Unit cell lengths | 97.755, 97.755, 80.970 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 84.510 - 2.440 |
R-factor | 0.19114 |
Rwork | 0.189 |
R-free | 0.22957 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.497 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CCP4 |
Refinement software | REFMAC (5.1.25) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.510 | 2.504 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.087 | 0.560 |
Number of reflections | 15599 | |
<I/σ(I)> | 8 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | NA ACETATE, IMIDAZOLE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |