5C4D

Crystal structure of GTB + UDP-Glc + 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	52.640, 149.580, 79.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.790 - 1.400
R-factor	0.1761
Rwork	0.175
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.011
RMSD bond angle	1.511
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]	74.790	19.810	1.450
High resolution limit [Å]	1.400	3.010	1.400
Rmerge	0.033	0.018	0.278
Total number of observations	254326	30656	13056
Number of reflections	60723
<I/σ(I)>	21.5	62	3.3
Completeness [%]	98.1	95.9	87.1
Redundancy	4.16	4.84	2.46

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.