3ORZ
PDK1 mutant bound to allosteric disulfide fragment activator 2A2
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 315r |
| Wavelength(s) | 1.11588 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 243.134, 116.124, 37.702 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.985 - 2.000 |
| R-factor | 0.2203 |
| Rwork | 0.218 |
| R-free | 0.26510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1w |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.618 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | PHENIX ((phenix.refine: 2010_01_09_2330)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 1.999 | 1.999 |
| Rmerge | 0.084 | 0.273 |
| Number of reflections | 69773 | |
| <I/σ(I)> | 20.456 | 3.784 |
| Completeness [%] | 99.4 | 99.9 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | 1.8M ammonium sulfate, 0.1M potassium tartrate, 0.1M sodium citrate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
