1FR9

STRUCTURE OF E. COLI MOBA

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	2000-07-01
Detector	ADSC QUANTUM 4
Spacegroup name	I 4 2 2
Unit cell lengths	124.118, 124.118, 66.983
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.650
R-factor	0.2084
Rwork	0.206
R-free	0.24200
RMSD bond length	0.019
RMSD bond angle	1.963
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.086	0.411
Number of reflections	58834
<I/σ(I)>	9.4
Completeness [%]	97.8	100
Redundancy	2.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	295	sodium acetate, cacodylate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K
1	Vapor diffusion *	6.5	295	sodium acetate, cacodylate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	12 (mg/ml)
2	1	reservoir	sodium acetate	2.5-3 (M)
3	1	reservoir	cacodylic acid	0.1 (M)	pH6.5