6G3D

Crystal structure of Native EDDS lyase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2013-02-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	F 2 2 2
Unit cell lengths	144.395, 144.763, 147.618
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.679 - 2.221
R-factor	0.1845
Rwork	0.182
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tju 2e9f 1u15
RMSD bond length	0.003
RMSD bond angle	0.529
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]	51.700	2.270
High resolution limit [Å]	2.220	2.220
Rmerge	0.151	0.544
Number of reflections	37577
<I/σ(I)>	9.9	2.8
Completeness [%]	98.5	94.4
Redundancy	4.1	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.1 M HEPES pH 7.5 and 4 M NaCl