1G8L

CRYSTAL STRUCTURE OF ESCHERICHIA COLI MOEA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	95
Detector technology	CCD
Collection date	1999-11-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	88.323, 97.414, 98.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.000 *
R-factor	0.23
Rwork	0.228
R-free	0.27700 *
Structure solution method	MIR
Starting model (for MR)	None
RMSD bond length	0.022 *
RMSD bond angle	1.609 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	2.000 *	1.900
Rmerge	0.069 *	0.336 *
Number of reflections	66845
<I/σ(I)>	12.2	1.25
Completeness [%]	99.3	99.2 *
Redundancy	4.3 *	4.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG 8000, calcium acetate, cacodylaic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
2	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG 6000, calcium acetate, cacodylaic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	10-15 (%)	or PEG8000
2	1	reservoir	calcium acetate	0.2-0.5 (M)
3	1	reservoir	cacodylic acid	0.1 (M)