3SXE

Crystal structure of AAAA+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	2008-05-22
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	52.550, 149.630, 79.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.490
R-factor	0.19173
Rwork	0.190
R-free	0.21938
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz0
RMSD bond length	0.029
RMSD bond angle	2.256
Data reduction software	d*TREK (9.4SSI)
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.744	19.940	1.540
High resolution limit [Å]	1.490	3.210	1.490
Rmerge	0.043	0.021	0.364
Number of reflections	50161
<I/σ(I)>	15.5	51.9	3
Completeness [%]	96.9	89.9	97.8
Redundancy	4.33	5.09	3.53

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	HANGING DROP	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 MnCl2, with 30% glycerol as the cryoprotectant, HANGING DROP, temperature 298K