1FE0

CRYSTAL STRUCTURE OF CADMIUM-HAH1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	113
Detector technology	CCD
Collection date	1999-04-01
Detector	MARRESEARCH
Spacegroup name	P 65
Unit cell lengths	78.140, 78.140, 54.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.750
R-factor	0.191
Rwork	0.191
R-free	0.21300
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.043 *	0.227
Total number of observations	130761 *
Number of reflections	19014 *
<I/σ(I)>	11
Completeness [%]	98.0 *	92.6
Redundancy	4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	MES buffer, lithium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	MES	0.1 (M)
3	1	reservoir		1.0 (M)