4H1X

Crystal structure of a phosphate ABC transporter, phosphate-binding protein (SP_2084) from Streptococcus pneumoniae TIGR4 at 1.77 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-06-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97922,0.91837,0.97883
Spacegroup name	C 1 2 1
Unit cell lengths	72.743, 61.624, 67.227
Unit cell angles	90.00, 120.30, 90.00

Refinement procedure

Resolution	29.482 - 1.770
R-factor	0.1706
Rwork	0.169
R-free	0.19960
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.482	29.482	1.830
High resolution limit [Å]	1.770	3.810	1.770
Rmerge	0.046	0.026	0.339
Number of reflections	23737	4470	4115
<I/σ(I)>	11.24	23.5	2.2
Completeness [%]	88.6	89.6	88.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	277	1.00M lithium chloride, 30.00% polyethylene glycol 6000, 0.1M citric acid pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K