4IQ2
P21 crystal form of FKBP12.6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-06-02 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.061, 49.346, 50.980 |
| Unit cell angles | 90.00, 101.82, 90.00 |
Refinement procedure
| Resolution | 38.232 - 1.700 |
| R-factor | 0.2285 |
| Rwork | 0.226 |
| R-free | 0.25070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c9h |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.849 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.232 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.137 | 0.510 |
| Number of reflections | 20138 | |
| <I/σ(I)> | 4.6 | 1.4 |
| Completeness [%] | 95.8 | 77.7 |
| Redundancy | 3.5 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2.0 M malonic acid, pH 7.0, 4% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
