2IGV
CYCLOPHILIN 3 Complexed with DIPEPTIDE SER-PRO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.2 |
Synchrotron site | SRS |
Beamline | PX14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9821 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 62.124, 62.124, 121.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.500 - 1.670 |
Rwork | 0.195 |
R-free | 0.22360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.024 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.850 | 1.760 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.050 | 0.281 |
Number of reflections | 25969 | |
<I/σ(I)> | 7 | |
Completeness [%] | 92.0 | 94 |
Redundancy | 7.6 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 30% MPEG 5000, 0.1M Sodium citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K |