5C48

Crystal structure of GTB + UDP-C-Gal + DI

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	52.580, 149.190, 79.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.600 - 1.460
R-factor	0.1829
Rwork	0.182
R-free	0.18860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.010
RMSD bond angle	1.540
Data reduction software	CrystalClear (1.3.6 SP2 r1)
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.600	19.830	1.510
High resolution limit [Å]	1.460	3.140	1.460
Rmerge	0.041	0.024	0.269
Total number of observations	245069	27850	19593
Number of reflections	54000
<I/σ(I)>	16.7	45.2	4
Completeness [%]	99.1	95.8	98
Redundancy	4.5	4.94	3.71

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.