3SXG

Crystal structure of AAAA+UDP+Gal with MPD 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	2008-05-20
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	52.710, 149.440, 79.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.860
R-factor	0.1929
Rwork	0.190
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz0
RMSD bond length	0.026
RMSD bond angle	2.036
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]	74.744	19.990	1.930
High resolution limit [Å]	1.860	4.000	1.860
Rmerge	0.055	0.026	0.340
Total number of observations		12348	10908
Number of reflections	25287
<I/σ(I)>	13	37.8	3.3
Completeness [%]	93.8	87.4	96.2
Redundancy	4.55	4.95	4.23

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 20% MPD as cryoprotectant, HANGING DROP, temperature 298K