6G3H

Crystal structure of EDDS lyase in complex with SS-EDDS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2013-05-16
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	F 2 2 2
Unit cell lengths	144.593, 146.409, 147.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.110 - 2.269
R-factor	0.1828
Rwork	0.181
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g3d
RMSD bond length	0.003
RMSD bond angle	0.579
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.300	2.330
High resolution limit [Å]	2.200	2.200
Rmerge	0.075
Number of reflections	35533
<I/σ(I)>	5.1
Completeness [%]	98.5
Redundancy	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.1 M sodium cacodylate pH 6.5, 0.25 M SS-EDDS