6BJI

Human ABO(H) blood group glycosyltransferase GTA D302C mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2006-11-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	52.580, 149.570, 79.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.790 - 1.540
R-factor	0.1824
Rwork	0.181
R-free	0.20870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz0
RMSD bond length	0.009
RMSD bond angle	1.411
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]	19.790	19.790	1.600
High resolution limit [Å]	1.540	3.310	1.540
Rmerge	0.038	0.019	0.320
Rmeas	0.038
Total number of observations	206457	23354	16717
Number of reflections	46171	4563	4608
<I/σ(I)>	17.2	54.6	3.3
Completeness [%]	98.7	93.3	100
Redundancy	4.44	5.05	3.61

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES		277	Spontaneous crystals were recovered from concentrated stocks of GTA/D302C (95-100 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.