4N1P
Structure of Cyclophilin A in complex with Picolinamide.
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 | 2011-12-06 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.810, 54.280, 87.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.070 - 1.900 |
R-factor | 0.19956 |
Rwork | 0.197 |
R-free | 0.25791 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.024 |
RMSD bond angle | 1.897 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.070 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 16455 | |
Completeness [%] | 98.9 | 96.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | Tris, PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |