6QZH

Structure of the human CC Chemokine Receptor 7 in complex with the intracellular allosteric antagonist Cmp2105 and the insertion protein Sialidase NanA

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	2017-04-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0, 2.066
Spacegroup name	P 21 21 2
Unit cell lengths	79.124, 128.809, 100.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.200 - 2.100
Rwork	0.188
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rws
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	79.300	2.400
High resolution limit [Å]	2.100	2.100
Rpim	0.100	0.920
Number of reflections	31344	1568
<I/σ(I)>	8.1	1.6
Completeness [%]	53.3	8.7
Redundancy	27.4	33.8
CC(1/2)	0.970	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	200 mM MES pH 6.0, 100 mM ammonium tartrate dibasic, 23-27 % (v/v) PEG 500 MME, 1 mM - 5 mM GSH/GSSG