4R84

Crystal structure of Sialyltransferase from Photobacterium damsela with CMP-3F(a)Neu5Ac bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-08
Detector	MAR CCD 165 mm
Wavelength(s)	0.97946
Spacegroup name	P 1
Unit cell lengths	64.340, 81.450, 111.210
Unit cell angles	99.02, 91.59, 101.20

Refinement procedure

Resolution	39.749 - 1.700
R-factor	0.1731
Rwork	0.172
R-free	0.20260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2z4t
RMSD bond length	0.007
RMSD bond angle	1.091
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.042	0.315
Number of reflections	229782
<I/σ(I)>	8.8	2.2
Completeness [%]	95.7	89.3
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	294	20% PEG 6000, 0.2M sodium chloride, 0.1M HEPES, pH 7.0, crystal soaked in 1.25 mM CMP-3F(a)Neu5Ac for 5 hours prior to freezing, VAPOR DIFFUSION, HANGING DROP, temperature 294K