3QFI

X-ray crystal structure of transcriptional regulator (EF0465) from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR190

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-04
Detector	MAR CCD 165 mm
Wavelength(s)	0.97877
Spacegroup name	P 21 21 21
Unit cell lengths	47.214, 54.543, 99.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 2.710
R-factor	0.201
Rwork	0.201
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3okz
RMSD bond length	0.008
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	CNS (1.2 & Xtalview)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.074	0.109
Number of reflections	6316
<I/σ(I)>	14.88	4.3
Completeness [%]	85.4	65.3
Redundancy	4.3	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil method	7.5	277	Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT, Precipitation solution: 0.1M HEPES (pH 7.5), 40% PEG400, and 0.1M calcium acetate, microbatch under oil method, temperature 277K