5UBD

Crystal structure of the N-terminal domain (domain 1) of RctB, RctB-1-124-L48M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	80
Detector technology	CCD
Collection date	2015-06-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	32.451, 38.167, 63.042
Unit cell angles	97.46, 91.49, 98.43

Refinement procedure

Resolution	34.191 - 2.002
R-factor	0.2171
Rwork	0.214
R-free	0.24700
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.581
Data reduction software	HKL-2000 (v714)
Data scaling software	HKL-2000 (v714)
Phasing software	AutoSol (1.11-2567-000)
Refinement software	PHENIX (1.11_2567)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Number of reflections	19914
<I/σ(I)>	26.4	2.44
Completeness [%]	94.3	96.9
Redundancy	2	2
CC(1/2)		0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	Crystals of selenomethionine-substituted RctB domain 1 (1 - 124, L48M) were grown by mixing 0.1, or 0.2, or 0.4 uL of the protein solution (20.1 mg/ml RctB-2-124-L48M in 20 mM Tris pH 7.4, 500 mM sodium chloride, 5% glycerol, 5 mM 2-mercaptoethanol) and 0.2 uL of reservoir solution (0.1 M Sodium HEPES pH 7.5, 20% w/v PEG10000).