1CC7

CRYSTAL STRUCTURE OF THE ATX1 METALLOCHAPERONE PROTEIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	95
Detector technology	CCD
Collection date	1998-06-01
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	56.650, 29.600, 40.770
Unit cell angles	90.00, 114.83, 90.00

Refinement procedure

Resolution	50.000 - 1.200
R-factor	0.1446
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HGATX1
RMSD bond length	0.010
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.051 *	0.085 *
Total number of observations	173690 *
Number of reflections	19349
<I/σ(I)>	7.5	8.6
Completeness [%]	98.9	89.5
Redundancy	7.8	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6		or 18 degrees *

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	BENZAMIDINE
2	1	1	(NH4)2SO4
3	1	1	GLYCEROL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.4 (M)
2	1	reservoir	benzamidine hydrochloride	2 (%)
3	1	reservoir	glycerol	3 (%)