3SX3

Crystal structure of AABB+UDP+Gal with glycerol as the cryoprotectant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-11-28
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	52.390, 149.120, 79.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.450
R-factor	0.1996
Rwork	0.198
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.029
RMSD bond angle	2.380
Data reduction software	d*TREK (9.4SSI)
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.536	19.870	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.042	0.019	0.371
Total number of observations		26865	18418
Number of reflections	53446
<I/σ(I)>	16	55.8	3
Completeness [%]	96.3	89.9	96
Redundancy	4.27	5.13	3.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	298	1% PEG4000, 5% MPD, 100 mM ammonium sulfate, 70 mM sodium chloride, 50 mM ADA, pH 7.6, 30 mM sodium acetate, pH 4.6, 5 mM manganese chloride, with 30% Glycerol as cryoprotectant, HANGING DROP, temperature 298K