5C49

Crystal structure of GTB + UDP-C-Gal + H-antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2007-10-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	52.540, 149.540, 79.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.490
R-factor	0.1823
Rwork	0.181
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz0
RMSD bond length	0.010
RMSD bond angle	1.482
Data reduction software	CrystalClear (1.3.6 SP2 r1)
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.790	19.790	1.540
High resolution limit [Å]	1.490	3.210	1.490
Rmerge	0.037	0.020	0.276
Total number of observations	265239	29186	22300
Number of reflections	48905
<I/σ(I)>	19.2	58.3	4.8
Completeness [%]	95.3	99.4	91.1
Redundancy	5.38	5.41	4.81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Grown in 1% polyethylene glycol (PEG) 4000, 4.5-5% 2-methyl-2,4-pentanediol (MPD), 100 mM ammonium sulfate, 70 mM sodium chloride, 50 mM N-[-acetamido]-2-iminodiacetic acid (ADA), 30 mM sodium acetate, 5 mM manganese chloride. Grown 5-10 days.