6IRE

Complex structure of INAD PDZ45 and NORPA CC-PBM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-01-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9780
Spacegroup name	C 2 2 21
Unit cell lengths	117.946, 157.213, 60.986
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.705 - 3.250
R-factor	0.2278
Rwork	0.225
R-free	0.27520
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.250	8.810	3.250
Rmerge	0.083	0.024	0.854
Rmeas	0.091	0.026	0.937
Rpim	0.037	0.011	0.381
Total number of observations	56563
Number of reflections	9527	508	475
<I/σ(I)>	8.4
Completeness [%]	99.6	94.4	100
Redundancy	5.9	5.3	5.9
CC(1/2)		0.999	0.622

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		289	0.2M MgCl2, 0.1M TRIS pH 6.5, 25% w/v Polyethylene glycol 3350