6KPD

The crystal structure of the BALDIBIS/IDD9 bound to the homodimeric SCL3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00000
Spacegroup name	P 32 2 1
Unit cell lengths	103.384, 103.384, 68.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.770 - 3.200
Rwork	0.204
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b3g
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.770	3.420
High resolution limit [Å]	3.200	3.200
Rmerge	0.115	0.521
Rpim	0.061	0.360
Number of reflections	7177	1279
<I/σ(I)>	6.7	2.9
Completeness [%]	99.3	99.1
Redundancy	4.2	2.9
CC(1/2)	0.995	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	PEG 3350, sodium sulfate, Bis-Tris propane-NaOH (pH 6.5)