5EQ4

Crystal structure of the SrpA adhesin R347E mutant from Streptococcus sanguinis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	44.700, 88.055, 199.214
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.350 - 2.300
R-factor	0.2045
Rwork	0.202
R-free	0.25670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.457
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.095	0.041	0.563
Rmeas	0.105	0.046	0.651
Rpim	0.045	0.020	0.316
Total number of observations	157498
Number of reflections	33121
<I/σ(I)>	7.6
Completeness [%]	91.8	88.9	71.6
Redundancy	4.8	5.3	3.6
CC(1/2)		0.983	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	100 mM Na cacodylate, 0.2 M NaCH3COO, 30% PEG 8000