3R7C

The structure of a hexahestidine-tagged form of augmenter of liver regeneration reveals a novel Cd(2)Cl(4)O(6) cluster that aids in crystal packing

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-06-01
Detector	MAR scanner 300 mm plate
Spacegroup name	I 41
Unit cell lengths	99.688, 99.688, 113.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.640 - 2.400
R-factor	0.165
Rwork	0.162
R-free	0.21100
Structure solution method	Cd-SAD
RMSD bond length	0.007
RMSD bond angle	1.146
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.089	0.452
Number of reflections	42700
Completeness [%]	100.0	100
Redundancy	30.88

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	20% PEGMME 2000, 0.1M NaOAC, 50 mM CdCl(2), see Reference 1, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K (see reference 1).