5UIW
Crystal Structure of CC Chemokine Receptor 5 (CCR5) in complex with high potency HIV entry inhibitor 5P7-CCL5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-05 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 38.010, 52.640, 302.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.472 - 2.204 |
R-factor | 0.2176 |
Rwork | 0.216 |
R-free | 0.25020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mbs |
RMSD bond length | 0.006 |
RMSD bond angle | 0.969 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.472 | 46.670 | 2.250 |
High resolution limit [Å] | 2.180 | 8.990 | 2.180 |
Rmerge | 0.145 | 0.051 | 2.292 |
Rmeas | 0.151 | 0.054 | 2.437 |
Rpim | 0.039 | 0.016 | 0.799 |
Number of reflections | 32803 | 579 | 2575 |
<I/σ(I)> | 9.4 | 36.5 | 0.6 |
Completeness [%] | 99.2 | 99.4 | 91.3 |
Redundancy | 13.7 | 11.6 | 7.4 |
CC(1/2) | 0.999 | 0.999 | 0.644 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6.3 | 295.5 | 29% (v/v) PEG 400, 120 mM lithium citrate, 1.2% (w/v) 1,5-Diaminopentane dihydrochloride, 100 mM 2-(N-morpholino)ethanesulfonic acid |