5C3A

Crystal structure of ABBA + UDP-C-Gal (short 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	52.660, 149.860, 79.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.950 - 1.330
R-factor	0.2016
Rwork	0.201
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz0
RMSD bond length	0.010
RMSD bond angle	1.492
Data reduction software	CrystalClear (1.3.6 SP2 r1)
Data scaling software	d*TREK (9.4SSI)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.950	35.070	1.370
High resolution limit [Å]	1.330	2.860	1.330
Rmerge	0.032	0.020	0.372
Total number of observations	252362	35508	2955
Number of reflections	64362
<I/σ(I)>	20	59.4	1.9
Completeness [%]	88.2	96.5	27.8
Redundancy	3.89	4.77	1.48

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.