9GRN

Crystal structure of the engineered C-terminal phosphatase domain from Saccharomyces cerevisiae Vip1 (apo, loop deletion residues 848-918)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-17
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000031
Spacegroup name	C 1 2 1
Unit cell lengths	249.475, 90.516, 200.898
Unit cell angles	90.00, 126.91, 90.00

Refinement procedure

Resolution	45.260 - 3.400
R-factor	0.2467
Rwork	0.244
R-free	0.29450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.758
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.260	3.600
High resolution limit [Å]	3.400	3.400
Rmeas	0.463	2.700
Number of reflections	49483	7864
<I/σ(I)>	5.3	1
Completeness [%]	99.0	98.5
Redundancy	6.9	7.2
CC(1/2)	0.980	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	10 % (w/v) polyvinylpyrrolidone K15, 5 mM CoCl2, 0.1M Tris pH 7.0 + 10% additive solution (5mM 13:0 Lyso PC aka 1-tridecanoyl-2-hydroxy-sn-glycero-3-phosphocholine)