3IUW

Crystal structure of Activating signal cointegrator (NP_814290.1) from ENTEROCOCCUS FAECALIS V583 at 1.58 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-14
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97934
Spacegroup name	P 31 2 1
Unit cell lengths	76.020, 76.020, 65.944
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.476 - 1.580
R-factor	0.187
Rwork	0.185
R-free	0.22200
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.591
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.476	29.476	1.640
High resolution limit [Å]	1.580	3.400	1.580
Rmerge	0.042	0.025	0.806
Number of reflections	30516	5847	6099
<I/σ(I)>	16.77	46.6	1.7
Completeness [%]	99.6	99.2	98.9
Redundancy	7.262

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	30.0000% PEG-400, 0.2000M LiSO4, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K