6INO

Crystal structure of the CysR-CTLD2 fragment of human MR at acidic pH (pH 4.6)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-01-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	238.484, 74.394, 108.756
Unit cell angles	90.00, 114.24, 90.00

Refinement procedure

Resolution	29.755 - 3.054
R-factor	0.1795
Rwork	0.177
R-free	0.21450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xts
RMSD bond length	0.006
RMSD bond angle	0.676
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.160
High resolution limit [Å]	3.050	3.050
Rmerge	0.165	0.634
Number of reflections	32631	3217
<I/σ(I)>	11.615
Completeness [%]	98.4
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	2.0 M sodium chloride, 0.1 M sodium acetate trihydrate (pH 4.6)