6J8N

Crystal structure of SVBP-VASH1 complex, mutation C169A of VASH1

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	2018-09-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	70.020, 90.078, 124.498
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.703 - 1.950
R-factor	0.1861
Rwork	0.185
R-free	0.21020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	a low resolution SeMet structure in our group
RMSD bond length	0.005
RMSD bond angle	0.868
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX ((1.14_3260: 000))
Refinement software	PHENIX ((1.14_3260: 000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.950	1.950
Rpim	0.048	0.292
Number of reflections	58570	5755
<I/σ(I)>	18
Completeness [%]	100.0	99.9
Redundancy	12.8	12.6
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	6% v/v Tacsimate pH6.0, 0.1M MES monohydrate pH 6.0, 25% PEG 4000