2PPO
Crystal structure of E60A mutant of FKBP12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2005-11-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 28.793, 62.563, 32.420 |
| Unit cell angles | 90.00, 113.70, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.290 |
| R-factor | 0.1888 |
| Rwork | 0.133 |
| R-free | 0.18160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | native fkbp structure solved in this study |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.205 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.350 |
| High resolution limit [Å] | 1.290 | 1.290 |
| Rmerge | 0.092 | 0.320 |
| Number of reflections | 29420 | |
| <I/σ(I)> | 46.2 | 3 |
| Completeness [%] | 92.5 | 80.4 |
| Redundancy | 3.5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1.9-2.1 M Sodium Maleonate, 50 mM DMSO, Slow buffer exchange into 2.5 M Sodium Maleoneate no DMSO, in 10 minute steps for freezing, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
