5UBF

Crystal structure of the RctB domains 2-3, RctB-155-483

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2014-07-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	H 3
Unit cell lengths	128.535, 128.535, 127.775
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.966 - 2.600
R-factor	0.2379
Rwork	0.235
R-free	0.27650
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.546
Data reduction software	HKL-2000 (v714)
Data scaling software	HKL-2000 (v714)
Phasing software	AutoSol (1.11.1-2575-000)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.600	2.600
Number of reflections	24150
<I/σ(I)>	21.73
Completeness [%]	99.4	99
Redundancy	5.7	5.4
CC(1/2)		0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	Crystals of selenomethionine-substituted RctB domains 2-3 (155-483) were prepared by mixing 0.1, or 0.2, or 0.4 uL of the protein solution (22.7 mg/ml RctB-155-483 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 Bis-Tris propane pH 6.5, 0.2 M Magnesium chloride, 2% w/v PEG 8000).