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 |
