1CC8

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	1997-08-01
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 - 1.020
R-factor	0.146 *
R-free	0.17200 *
Structure solution method	DIRECT METHODS
RMSD bond length	0.010
RMSD bond angle	0.028
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.050
High resolution limit [Å]	1.020	1.020
Rmerge	0.051 *	0.106 *
Total number of observations	102722 *
Number of reflections	24099
<I/σ(I)>	8.4	5.3
Completeness [%]	95.4	90.2
Redundancy	4	2.9

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	(NH4)2SO4
2	1	1	BENZAMIDINE
3	1	1	GLYCEROL
4	1	1	MES

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 (%)