3G8R

Crystal structure of putative spore coat polysaccharide biosynthesis protein E from Chromobacterium violaceum ATCC 12472

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 41 21 2
Unit cell lengths	107.672, 107.672, 164.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.490
R-factor	0.212
Rwork	0.208
R-free	0.27800
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.769
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0070)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.520
High resolution limit [Å]	2.480	6.730	2.480
Rmerge	0.143	0.052	0.699
Number of reflections	57128
<I/σ(I)>	13.212
Completeness [%]	88.0	98.6	35.6
Redundancy	5.2	5.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	2.1 M DL-maleic acid, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K