6IOE

Crystal structure of the CysR-CTLD2 fragment of human MR at basic pH (pH 8.5)

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	2017-12-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	241.425, 72.240, 109.529
Unit cell angles	90.00, 114.51, 90.00

Refinement procedure

Resolution	29.846 - 2.900
R-factor	0.239
Rwork	0.236
R-free	0.28420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xts
RMSD bond length	0.011
RMSD bond angle	1.222
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.142	0.463
Number of reflections	37435	3452
<I/σ(I)>	11.71
Completeness [%]	97.5
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	1.2 M potassium sodium tartrate tetrahydrate, 0.1 M Tris (pH 8.5)