2GUF

In meso crystal structure of the cobalamin transporter, BtuB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9124
Spacegroup name	P 21 21 21
Unit cell lengths	72.610, 80.877, 118.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.440 - 1.950
R-factor	0.19055
Rwork	0.189
R-free	0.22456
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.012
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.079	0.419
Number of reflections	51400
<I/σ(I)>		3.64
Completeness [%]	98.7	94.3
Redundancy	5.4	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1