1UJW

Structure of the complex between BtuB and Colicin E3 Receptor binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Detector	SBC
Spacegroup name	P 21 21 21
Unit cell lengths	76.933, 80.098, 233.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.500 * - 2.750
R-factor	0.247
Rwork	0.244
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nqe
RMSD bond length	0.016
RMSD bond angle	1.868
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.500 *
High resolution limit [Å]	2.750	2.750 *
Rmerge	0.084 *	0.295 *
Total number of observations	139699 *
Number of reflections	37175
Completeness [%]	96.7 *	91.1 *
Redundancy	3.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5 *	20 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MES	10 (mM)	pH6.5
2	1	drop		0.1 (M)
3	1	drop	LDAO	0.1 (%(w/v))
4	1	reservoir	ADA	0.1 (M)	pH6.0
5	1	reservoir	ammonium sulfate	0.9 (M)