4MBS

Crystal Structure of the CCR5 Chemokine Receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	72.920, 103.520, 137.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.330 - 2.710
R-factor	0.2181
Rwork	0.216
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3odu
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.144	0.853
Number of reflections	27674
<I/σ(I)>	14.5	2
Completeness [%]	95.6	92.3
Redundancy	6	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	7	293	32% PEG 400, 0.1M HEPES, 0.1M sodium chloride, pH 7.0, Lipidic cubic phase, temperature 293K