7L0M

Vanadate-bound YopH G352T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	49.231, 56.091, 98.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.150 - 2.000
R-factor	0.1805
Rwork	0.178
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yaa
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.178	0.111	0.648
Rmeas	0.189	0.118	0.710
Rpim	0.064	0.040	0.278
Total number of observations	140771
Number of reflections	18343	2068	1536
<I/σ(I)>	6.3
Completeness [%]	96.3	99.9	82.5
Redundancy	7.7	8.3	5
CC(1/2)		0.993	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277	0.1 M HEPES pH 7.5, and 15-34 % PEG 3350