3SXC

Crystal structure of BBBB+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	2007-12-13
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	52.550, 149.880, 78.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.1801
Rwork	0.178
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.026
RMSD bond angle	1.987
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]	74.953	19.700	1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.059	0.028	0.325
Total number of observations		11799	10990
Number of reflections	23770
<I/σ(I)>	12.1	33.3	3.7
Completeness [%]	95.2	87.1	98.2
Redundancy	4.8	5.12	4.52

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