5O9H
Crystal structure of thermostabilised human C5a anaphylatoxin chemotactic receptor 1 (C5aR) in complex with NDT9513727
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96861 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.093, 51.096, 118.936 |
| Unit cell angles | 90.00, 106.73, 90.00 |
Refinement procedure
| Resolution | 19.894 - 2.700 |
| R-factor | 0.2095 |
| Rwork | 0.208 |
| R-free | 0.23850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dkl |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.035 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.600 | 2.830 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.190 | 0.923 |
| Number of reflections | 26541 | |
| <I/σ(I)> | 7 | 1.7 |
| Completeness [%] | 99.3 | 99.6 |
| Redundancy | 5 | 5.1 |
| CC(1/2) | 0.987 | 0.631 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 5.5 | 295.65 | 100mM tri-sodium citrate pH 5.5, 200mM Na/K tartrate, 35-45% (v/v) polyethylene glycol 400 |
