6J8V

Structure of MOEN5-SSO7D fusion protein in complex with ligand 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-23
Detector	RAYONIX MX-300
Wavelength(s)	1.0
Spacegroup name	C 2 2 2
Unit cell lengths	137.856, 217.336, 104.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.230
R-factor	0.17402
Rwork	0.172
R-free	0.22501
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b02
RMSD bond length	0.009
RMSD bond angle	1.640
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.310
High resolution limit [Å]	2.230	4.790	2.230
Rmerge	0.075	0.037	0.607
Rmeas	0.083	0.041	0.674
Rpim	0.035	0.017	0.288
Total number of observations	413417
Number of reflections	75822	7881	7486
<I/σ(I)>	11.1
Completeness [%]	99.7	99.7	99.4
Redundancy	5.5	5.4	5.1
CC(1/2)		0.998	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	298	0.2M LI3-CITRATE, 0.3M NACL, 25% W/V PEG 3350