6X3R
Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-03-15 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.202, 52.406, 88.769 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.130 - 1.800 |
R-factor | 0.1694 |
Rwork | 0.166 |
R-free | 0.19740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cpl |
RMSD bond length | 0.006 |
RMSD bond angle | 0.846 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.130 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 18908 | 1415 |
<I/σ(I)> | 57.56 | |
Completeness [%] | 87.6 | |
Redundancy | 4.3 |
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 |