3SXB

Crystal structure of ABBB+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	2008-05-07
Detector	RIGAKU RAXIS
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	52.590, 149.840, 79.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.490
R-factor	0.1953
Rwork	0.194
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.032
RMSD bond angle	2.562
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	19.830	1.540
High resolution limit [Å]	1.490	3.210	1.490
Rmerge	0.032	0.018	0.265
Total number of observations		24333	17176
Number of reflections	49296
<I/σ(I)>	20.6	66.9	4.1
Completeness [%]	95.5	91	93.5
Redundancy	4.28	4.89	3.58

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