6BJJ

Human ABO(H) blood group glycosyltransferase GTB D302A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2006-11-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	52.690, 150.320, 78.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.160 - 1.450
R-factor	0.1846
Rwork	0.184
R-free	0.19990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.009
RMSD bond angle	1.435
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]	19.890	19.890	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.029	0.017	0.303
Rmeas	0.029
Total number of observations	239861	28180	19203
Number of reflections	55649	5614	5540
<I/σ(I)>	21.1	69.7	3.6
Completeness [%]	99.5	96.1	100
Redundancy	4.28	4.92	3.45

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES		277	Spontaneous crystals were recovered from concentrated stocks of GTB/D302A (68 mg/mL) stored in 50 mM MOPS, pH 7.00, 0.1 M sodium chloride, 1 mM DTT, 5 mM manganese chloride, and kept at 277 K.