6GPX
CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-31 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.570, 64.550, 131.200 |
Unit cell angles | 90.00, 91.19, 90.00 |
Refinement procedure
Resolution | 39.900 - 2.700 |
R-factor | 0.231 |
Rwork | 0.230 |
R-free | 0.24300 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.850 |
Data reduction software | XDS |
Data scaling software | AutoPROC |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.770 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.550 | |
Number of reflections | 25298 | |
<I/σ(I)> | 6.93 | 1.17 |
Completeness [%] | 100.0 | 100 |
Redundancy | 15.8 | 14.8 |
CC(1/2) | 0.993 | 0.656 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6.5 | 293 | protein was concentrated to 20-25 mg/ml and reconstituted into LCP by mixing with 90% monoolein/10% cholesterol at a 40:60 (w:w) protein:lipid ratio. LCP crystallization were set up using the IMISX in-situ crystallization plate. 40nl of LCP bolus were dispensed using the Mosquito LCP robot (TTP Labtech) and overlaid with 800 nl of precipitant solution. Crystals were obtained in 0.1 M bis-tris propane pH 6.5, 0.2 M potassium nitrate, 39% (v/v) PEG400, 3% (v/v) 1,2-propanediol |