6J8W

Structure of MOEN5-SSO7D fusion protein in complex with lig 1

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	137.777, 217.673, 104.416
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.350
R-factor	0.17777
Rwork	0.175
R-free	0.22488
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b02
RMSD bond length	0.010
RMSD bond angle	1.687
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
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	2.420
High resolution limit [Å]	2.340	5.030	2.340
Rmerge	0.096	0.045	0.827
Rmeas	0.103	0.048	0.894
Rpim	0.039	0.019	0.338
Total number of observations	461075
Number of reflections	65630	6826	6535
<I/σ(I)>	10.9
Completeness [%]	100.0	99.9	100
Redundancy	7	6.8	6.9
CC(1/2)		0.998	0.762

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