7MPC

Structure of SsoPTP bound to vanadate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	84
Detector technology	PIXEL
Collection date	2019-06-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 63
Unit cell lengths	84.582, 84.582, 42.346
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.290 - 1.750
R-factor	0.1681
Rwork	0.167
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i6i
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.750	3.770	1.750
Rmerge	0.186	0.146	0.562
Rmeas	0.191	0.150	0.595
Rpim	0.043	0.034	0.189
Number of reflections	17577	1834	1712
<I/σ(I)>	17.4
Completeness [%]	99.8		98.6
Redundancy	17.5		8.6
CC(1/2)		0.993	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1M Hepes, 0.001 M zinc chloride, 20% PEG 6000