3SX7

Crystal structure of ABBA+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	2008-05-13
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	52.540, 149.450, 79.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.420
R-factor	0.206
Rwork	0.205
R-free	0.22810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.032
RMSD bond angle	2.491
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	19.900	1.470
High resolution limit [Å]	1.420	3.060	1.420
Rmerge	0.030	0.017	0.295
Total number of observations		28151	16314
Number of reflections	58371
<I/σ(I)>	22.1	69.8	3.3
Completeness [%]	98.2	92.7	95.5
Redundancy	4.07	4.82	2.9

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