6JZE

Crystal structure of VASH2-SVBP complex with the magic triangle I3C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-30
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	72.690, 111.115, 126.454
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.730 - 2.510
R-factor	0.225
Rwork	0.221
R-free	0.26600
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.132
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXDE
Refinement software	PHENIX (1.14RC3_3206)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.510	2.510
Rmerge	0.093	0.421
Rpim	0.018	0.096
Number of reflections	33755	33755
<I/σ(I)>	53.8
Completeness [%]	100.0
Redundancy	25.6
CC(1/2)	0.994	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	BIS-TRIS propane, Sodium formate