6INV

Crystal structure of the CysR-CTLD2 fragment of human MR at acidic pH (pH 4.0)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-12-02
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	C 2 2 21
Unit cell lengths	43.392, 238.394, 104.452
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.732 - 3.300
R-factor	0.2468
Rwork	0.242
R-free	0.28490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xts
RMSD bond length	0.002
RMSD bond angle	0.497
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.420
High resolution limit [Å]	3.300	3.300
Rmerge	0.137	0.283
Number of reflections	8092	738
<I/σ(I)>	2.109
Completeness [%]	95.5
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	1.0 M lithium chloride, 0.1 M citric acid (pH 4.0), 10% (w/v) PEG 6000