5C8R

Crystal structure of ABBA + UDP-Glc + DI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	177
Detector technology	IMAGE PLATE
Collection date	2007-10-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	52.540, 149.260, 79.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.540 - 1.450
R-factor	0.1761
Rwork	0.176
R-free	0.18560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz0
RMSD bond length	0.009
RMSD bond angle	1.509
Data reduction software	CrystalClear (1.3.6 SP2 r1)
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.540	19.790	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.030	0.017	0.221
Total number of observations	232709	26247	18388
Number of reflections	54336
<I/σ(I)>	23.9	70.4	4.6
Completeness [%]	97.9	91.3	98.8
Redundancy	4.25	4.87	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Grown in 1% polyethylene glycol (PEG) 4000, 4.5-5% 2-methyl-2,4-pentanediol (MPD), 100 mM ammonium sulfate, 70 mM sodium chloride, 50 mM N-[-acetamido]-2-iminodiacetic acid (ADA), 30 mM sodium acetate, 5 mM manganese chloride. Grown 5-10 days.