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 |