2C84

CRYSTAL STRUCTURE OF THE SIALYLTRANSFERASE PM0188 WITH CMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU R-AXIS IV
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	65.712, 66.163, 101.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.560 - 2.310
R-factor	0.195
Rwork	0.193
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.681
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.110
Number of reflections	26832
<I/σ(I)>	20.2	2.99
Completeness [%]	96.2	80.7
Redundancy	6.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.5