2IGW
CYCLOPHILIN 3 complexed with DIPEPTIDE GLY-PRO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 62.724, 62.724, 122.756 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.950 - 1.780 |
| R-factor | 0.2245 |
| Rwork | 0.225 |
| R-free | 0.26370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8k |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.023 |
| 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] | 36.040 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.123 | 0.014 |
| Number of reflections | 23790 | |
| <I/σ(I)> | 11.7 | 0.9 |
| Completeness [%] | 98.0 | 90.9 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 30% MPEG 5000, 0.1M Sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |
