3OTU
PDK1 mutant bound to allosteric disulfide fragment activator JS30
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 |
| Collection date | 2009-12-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.11589 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.296, 69.029, 46.928 |
| Unit cell angles | 90.00, 104.71, 90.00 |
Refinement procedure
| Resolution | 45.390 - 2.101 |
| R-factor | 0.1967 |
| Rwork | 0.194 |
| R-free | 0.24050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1w |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.694 |
| 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 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.108 | 0.668 |
| Number of reflections | 15681 | |
| <I/σ(I)> | 16.16 | 2.806 |
| Completeness [%] | 98.2 | 97.4 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 1.7M ammonium sulfate, 0.2M NDSB-211, 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
