7KQ2

1.98 A resolution crystal structure of Group A Streptococcus H111A HupZ-V5-His6

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	2020-10-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 65 2 2
Unit cell lengths	54.898, 54.898, 333.279
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.706 - 1.981
R-factor	0.1965
Rwork	0.193
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5esc
RMSD bond length	0.007
RMSD bond angle	1.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.000
High resolution limit [Å]	1.970	5.350	1.970
Rmerge	0.171	0.084	0.972
Rmeas	0.174	0.086	0.987
Rpim	0.032	0.016	0.170
Total number of observations	661695
Number of reflections	22490	1368	1058
<I/σ(I)>	3.6
Completeness [%]	99.9	99.8	100
Redundancy	29.4	28.1	32
CC(1/2)		0.998	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.4	295	5 mg/mL protein, 0.1 M citric acid, 1.3 M ammonium sulfate, pH 3.4