4FI3

Structure of vitamin B12 transporter BtuCD-F in a nucleotide-bound state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	90
Detector technology	CCD
Collection date	2011-10-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	127.730, 211.990, 179.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.466
R-factor	0.2323
Rwork	0.229
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2QI9 and 4DBL
RMSD bond length	0.006
RMSD bond angle	1.039
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX (1.7.2_869)
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.620
High resolution limit [Å]	3.466	3.466
Number of reflections	30839
<I/σ(I)>	12	1.4
Completeness [%]	98.7	98.5
Redundancy	7.1	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	293	20-30% PEG400, 100 mM ADA pH6.8, 100 mM Na/K-citrate, VAPOR DIFFUSION, SITTING DROP, temperature 293K