6X3Y
Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.393, 52.698, 89.439 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.100 - 1.400 |
| R-factor | 0.1556 |
| Rwork | 0.155 |
| R-free | 0.17080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cpl |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.119 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.100 | 1.440 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 40383 | 2697 |
| <I/σ(I)> | 25.31 | |
| Completeness [%] | 96.3 | |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 20 mM Tris-HCl, pH 8.5, 2 mM DTT, 2 mM EDTA, 20-35% PEG3350, 5% ethanol |
