3SXA

Crystal structure of ABBB+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	2008-05-08
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	52.480, 149.740, 79.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.2058
Rwork	0.204
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.030
RMSD bond angle	2.365
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]	74.953	19.810	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.030	0.016	0.252
Total number of observations		24155	17054
Number of reflections	48983
<I/σ(I)>	23.2	76.4	4.3
Completeness [%]	96.9	94.6	94.7
Redundancy	4.33	4.74	3.61

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