5XTS

Crystal structure of the CysR-CTLD3 fragment of human MR at basic/neutral pH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-03-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	60.256, 101.697, 123.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.860 - 2.000
R-factor	0.1669
Rwork	0.166
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dqo 5ao5
RMSD bond length	0.005
RMSD bond angle	0.752
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.860	2.030
High resolution limit [Å]	2.000	2.000
Rmerge		0.713
Number of reflections	51902
<I/σ(I)>	19.688	2.214
Completeness [%]	99.7	99.3
Redundancy	12.8	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291.15	12% (w/v) polyethylene glycol 20,000, 0.1M imidazole (pH 7.0)