4IAJ

Crystal structure of a conserved domain protein (SP_1775) from Streptococcus pneumoniae TIGR4 at 1.91 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918401,0.979338,0.979111
Spacegroup name	P 1 21 1
Unit cell lengths	50.152, 98.168, 68.930
Unit cell angles	90.00, 107.20, 90.00

Refinement procedure

Resolution	29.304 - 1.910
R-factor	0.1824
Rwork	0.180
R-free	0.23240
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.181
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.304		1.980
High resolution limit [Å]	1.910	4.100	1.910
Rmerge	0.051	0.017	0.564
Number of reflections	48771	9504	9493
<I/σ(I)>	10.68	32.4	1.5
Completeness [%]	96.2	95.9	95.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M magnesium nitrate, 20.0% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K