1BY3

FHUA FROM E. COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1998-04-29
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	132.900, 89.900, 90.000
Unit cell angles	90.00, 95.20, 90.00

Refinement procedure

Resolution	12.000 - 2.740
R-factor	0.186
Rwork	0.186
R-free	0.24400
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	27.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.740
Rmerge	0.055
Number of reflections	26534
Completeness [%]	95.6
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.2		protein solution is mixed in a 1:2 ratio with well solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12.3 (mg/ml)
2	1	reservoir	PEG2000	33 (%)
3	1	reservoir		0.45 (M)
4	1	reservoir		0.15 (M)
5	1	reservoir	n-octyl-2-hydroxyethyl-sulfoxide	0.5 (%)