3KLK

Crystal structure of Lactobacillus reuteri N-terminally truncated glucansucrase GTF180 in triclinic apo- form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 1
Unit cell lengths	58.279, 65.949, 82.506
Unit cell angles	73.30, 78.46, 85.82

Refinement procedure

Resolution	20.000 - 1.650
R-factor	0.167
Rwork	0.165
R-free	0.19500
Structure solution method	MAD
RMSD bond length	0.022
RMSD bond angle	1.558
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.21)
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.625	63.120	1.740
High resolution limit [Å]	1.650	5.220	1.650
Rmerge	0.077	0.041	0.453
Total number of observations		15344	71015
Number of reflections	133854
<I/σ(I)>	12.3	14.9	1.5
Completeness [%]	96.5	95.8	94.8
Redundancy	3.7	3.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG 3350, sodium potassium phosphate, BIS-TRIS propane-HCl buffer, pH 6.5, vapor diffusion, hanging drop, temperature 293K
2