5C3B

Crystal structure of ABBA + 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	52.530, 149.550, 79.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.740 - 1.400
R-factor	0.1837
Rwork	0.183
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz0
RMSD bond length	0.009
RMSD bond angle	1.524
Data reduction software	CrystalClear (1.3.6 SP2 r1)
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.740	19.790	1.450
High resolution limit [Å]	1.400	3.010	1.400
Rmerge	0.033	0.019	0.293
Total number of observations	238596	28931	12520
Number of reflections	59599
<I/σ(I)>	21	62.7	2.9
Completeness [%]	96.6	92.1	82.4
Redundancy	3.97	4.78	2.5

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.