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 |
