9W5C

Complex structure of MAGI3 WW1 and IQSEC3 PPxY motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97776
Spacegroup name	C 1 2 1
Unit cell lengths	84.472, 78.971, 48.780
Unit cell angles	90.00, 93.52, 90.00

Refinement procedure

Resolution	42.160 - 2.100
R-factor	0.1838
Rwork	0.180
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.058
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.101	0.059	0.537
Rmeas		0.065	0.591
Rpim		0.025	0.242
Number of reflections	18683	966	916
<I/σ(I)>	4.6
Completeness [%]	99.8	99.9	97.7
Redundancy	6.5	6.7	5.1
CC(1/2)		0.997	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	2.4 M Ammonium phosphate dibasic, 0.1 M Tris at pH 8.5