4R0X
Allosteric coupling of conformational transitions in the FK1 domain of FKBP51 near the site of steroid receptor interaction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-22 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.435, 31.990, 57.435 |
| Unit cell angles | 90.00, 119.03, 90.00 |
Refinement procedure
| Resolution | 27.450 - 1.200 |
| R-factor | 0.1594 |
| Rwork | 0.159 |
| R-free | 0.16740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o5e |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.080 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.455 | 1.220 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.055 | 0.360 |
| Number of reflections | 32439 | |
| <I/σ(I)> | 34.4 | 2.2 |
| Completeness [%] | 93.3 | 50.8 |
| Redundancy | 6.1 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 26% PEG 3350, 0.1 M HEPES, pH 7.5, 0.2 M ammonium acetate, 5% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
