5C47

Crystal structure of ABBB + UDP-C-Gal (long soak) + DI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	113
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	52.560, 149.350, 79.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.390
R-factor	0.1792
Rwork	0.178
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.009
RMSD bond angle	1.528
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]	19.770	19.770	1.440
High resolution limit [Å]	1.390	2.990	1.390
Rmerge	0.032	0.017	0.269
Total number of observations	252937	30837	11522
Number of reflections	61958
<I/σ(I)>	22.5	68.3	3
Completeness [%]	98.0	94.1	91.1
Redundancy	4.05	4.89	2.03

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.