7ZCV

Rgg144 of Streptococcus pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-09
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	75.479, 80.871, 106.534
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.510 - 1.900
R-factor	0.1898
Rwork	0.189
R-free	0.21490
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.510	1.940
High resolution limit [Å]	1.900	1.900
Rmerge		1.031
Rpim		0.412
Number of reflections	52047	5148
<I/σ(I)>	12.3	2
Completeness [%]	99.9
Redundancy	6
CC(1/2)	0.998	0.526

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Bis-Tris propane pH 7.5, containing 200 mM potassium sodium tartrate tetrahydrate and PEG4K (18-26%)