5UR7
Crystal structure of engineered CCL20 disulfide locked dimer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-11-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 61 |
| Unit cell lengths | 71.679, 71.679, 71.561 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.892 - 2.000 |
| R-factor | 0.1634 |
| Rwork | 0.160 |
| R-free | 0.19660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CCL20 (PDB ID 1M8A) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.866 |
| Data reduction software | HKL-2000 (708c) |
| Data scaling software | HKL-2000 (708c) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX (1.10.1-2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.042 | 0.025 | 0.208 |
| Number of reflections | 14186 | ||
| <I/σ(I)> | 20.5 | ||
| Completeness [%] | 99.9 | 99.9 | 100 |
| Redundancy | 10.3 | 10.2 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 302 | 0.1M ammonium acetate, 0.1 M sodium HEPES, 25% v/v 2-propanol |
