1E8K
Cyclophilin 3 Complexed With Dipeptide Ala-Pro
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 61.035, 61.035, 122.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.900 |
| R-factor | 0.1826 |
| R-free | 0.25050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dyw |
| RMSD bond length | 0.030 * |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.079 * | 0.332 * |
| Total number of observations | 152448 * | |
| Number of reflections | 19230 | |
| <I/σ(I)> | 12.85 | 2.13 |
| Completeness [%] | 97.6 | 88.2 |
| Redundancy | 7.92 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.6 | 16 * | Dornan, J., (1999) J.Biol.Chem., 274, 34877. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3.5 (mg/ml) | |
| 2 | 1 | drop | sodium citrate | 50 (mM) | |
| 3 | 1 | drop | mPEG5000 | 29-31 (%(w/v)) | |
| 4 | 1 | reservoir | sodium citrate | 100 (mM) | |
| 5 | 1 | reservoir | mPEG5000 | 31 (%) |
