6BJK

Human ABO(H) blood group glycosyltransferase GTB D302C mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	RIGAKU
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2005-12-08
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	52.490, 150.260, 78.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.580 - 2.120
R-factor	0.1953
Rwork	0.193
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lz7
RMSD bond length	0.008
RMSD bond angle	1.329
Data reduction software	CrystalClear
Data scaling software	d*TREK (9.4SSI)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.580	19.580	2.200
High resolution limit [Å]	2.120	4.550	2.120
Rmerge	0.088	0.053	0.294
Rmeas	0.088
Number of reflections	17135
<I/σ(I)>	9.1	21.2	3.9
Completeness [%]	95.3	87.5	98.8
Redundancy	4.68	4.87	4.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES		277	Spontaneous crystals were recovered from concentrated stocks of GTB/D302C (55 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.