1JBE

1.08 A Structure of apo-Chey reveals meta-active conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-08-18
Detector	ADSC
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	45.122, 46.652, 53.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.080
R-factor	0.114 *
Rwork	0.121
R-free	0.15200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	APO-CHEY (PDB CODE: 3CHY)
RMSD bond length	0.007
RMSD bond angle	0.022
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.120
High resolution limit [Å]	1.080	1.080
Rmerge	0.048	0.212
Number of reflections	42147
<I/σ(I)>	23.2	3.9
Completeness [%]	86.9	70.2
Redundancy	3.3	2.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	8.3	293	Volz, K., (1991) J. Biol. Chem., 266, 15511. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	2.2 (M)
2	1	1	Tris-HCl	50 (mM)