4IPX
Analyzing the visible conformational substates of the FK506 binding protein FKBP12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-10-28 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.550, 35.948, 40.923 |
| Unit cell angles | 90.00, 95.89, 90.00 |
Refinement procedure
| Resolution | 19.607 - 1.700 |
| R-factor | 0.2072 |
| Rwork | 0.207 |
| R-free | 0.21750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ppn |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.111 |
| 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] | 35.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.097 | 0.296 |
| Number of reflections | 10996 | |
| <I/σ(I)> | 29.4 | 6.3 |
| Completeness [%] | 93.7 | 93.6 |
| Redundancy | 3.23 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 1.7 M sodium malonate, pH 7.0, 0.1 M HEPES, pH 7.4, 5% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
