2O65
Crystal structure of Pim1 with Pentahydroxyflavone
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 | 98.652, 98.652, 80.472 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 84.510 - 2.850 |
R-factor | 0.21034 |
Rwork | 0.208 |
R-free | 0.26166 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.545 |
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 | 2.920 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.138 | 0.776 |
Number of reflections | 9976 | |
<I/σ(I)> | 5.1 | 1.6 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.9 | 4.9 |
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 |