6BJL

Human ABO(H) blood group glycosyltransferase GTB D302L mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2006-11-27
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	52.480, 151.140, 78.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.590 - 1.690
R-factor	0.1742
Rwork	0.172
R-free	0.21070
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]	19.610	19.610	1.750
High resolution limit [Å]	1.690	3.630	1.690
Rmerge	0.046	0.022	0.320
Rmeas	0.046
Total number of observations	164960	17642	13991
Number of reflections	34748	3427	3485
<I/σ(I)>	15.1	46.5	3.3
Completeness [%]	98.3	92.4	100
Redundancy	4.71	5.13	3.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES		277	Spontaneous crystals were recovered from concentrated stocks of GTB/D302L (40-50 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.