4IZ6

Structure of EntE and EntB, an NRPS adenylation-PCP fusion protein with pseudo translational symmetry

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	110
Detector technology	CCD
Collection date	2010-02-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	110.990, 119.110, 99.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.497 - 2.400
R-factor	0.2532
Rwork	0.250
R-free	0.31330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3RG2 chain C residues 2-536
RMSD bond length	0.009
RMSD bond angle	1.255
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: dev_837))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.500	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.094	0.401
Number of reflections	51261
<I/σ(I)>	7.5	2.1
Completeness [%]	98.0	91.1
Redundancy	3.7	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	The EntE-B protein crystallized via a modified vapor diffusion setup. A mother liquor of 20 % monomethyl ether PEG 2000 and 0.1 M bis(2-hydroxyethyl)amino-tris(hydroxymethyl)methane (BIS-TRIS) was made. The mother liquor was diluted 1:1 with the protein buffer for the crystallization reservoir and diluted 1:1 with protein solution for the hanging drop., pH 6.5, VAPOR DIFFUSION, temperature 293K