3SX8

Crystal structure of ABBA+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	2008-05-09
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	52.600, 149.690, 79.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.470
R-factor	0.1909
Rwork	0.189
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.029
RMSD bond angle	2.384
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	19.870	1.520
High resolution limit [Å]	1.470	3.160	1.470
Rmerge	0.058	0.042	0.291
Total number of observations		25373	18114
Number of reflections	52036
<I/σ(I)>	13	37.7	2.9
Completeness [%]	96.9	89.9	97.8
Redundancy	4.25	4.91	3.5

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