6BJM

Human ABO(H) blood group glycosyltransferase GTB R188K mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2006-10-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	52.670, 149.670, 79.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.740 - 1.450
R-factor	0.1897
Rwork	0.189
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.010
RMSD bond angle	1.465
Data reduction software	CrystalClear
Data scaling software	d*TREK (9.4SSI)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.810	19.810	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.031	0.017	0.283
Rmeas	0.031
Total number of observations	208656	24572	16433
Number of reflections	53903	5276	5313
<I/σ(I)>	21	68.3	3.4
Completeness [%]	96.6	90.4	96.2
Redundancy	3.84	4.56	3.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	GTB/R188K crystals were obtained by hanging drop vapor diffusion at 4 degrees C, where 3 uL of concentrated stock (66-68 mg/mL) was mixed with 1 uL of reservoir solution containing 0.3 M sodium acetate and 0.3 M sodium chloride.