4N1N
Structure of Cyclophilin A in complex with Benzamide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2009-09-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97630 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.910, 53.610, 87.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.860 - 1.500 |
R-factor | 0.16866 |
Rwork | 0.166 |
R-free | 0.21283 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.026 |
RMSD bond angle | 2.024 |
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] | 42.910 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 32933 | |
Completeness [%] | 99.4 | 99.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | Tris, PEG8000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |