7L0I

Ligand-free 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	49.135, 56.296, 98.335
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.170 - 2.020
R-factor	0.2043
Rwork	0.202
R-free	0.25290
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	2.100
High resolution limit [Å]	2.020	4.370	2.030
Rmerge	0.181	0.086	0.960
Rmeas	0.198	0.093	1.133
Rpim	0.079	0.035	0.578
Number of reflections	17704	2003	1431
<I/σ(I)>	7.8
Completeness [%]	95.2	99.6	79.6
Redundancy	5.5	6.5	3
CC(1/2)		0.996	0.467

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