5NOX
Structure of cyclophilin A in complex with 2-chloropyridin-3-amine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-17 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.920 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.780, 54.330, 87.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.470 - 1.490 |
R-factor | 0.17013 |
Rwork | 0.169 |
R-free | 0.19876 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5lud |
RMSD bond length | 0.023 |
RMSD bond angle | 2.032 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.780 | 1.530 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.080 | 0.630 |
Number of reflections | 33803 | |
<I/σ(I)> | 12.1 | 2.5 |
Completeness [%] | 99.1 | 99.4 |
Redundancy | 7.1 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 279.15 | PEG 8000, Tris-HCl |