3OPZ

Crystal structure of trans-sialidase in complex with the Fab fragment of a neutralizing monoclonal IgG antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	108
Detector technology	IMAGE PLATE
Collection date	2009-04-27
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 31
Unit cell lengths	178.140, 178.140, 140.710
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.790 - 3.400
R-factor	0.1647
Rwork	0.164
R-free	0.20530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.527
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	154.273	29.790	3.580
High resolution limit [Å]	3.400	10.750	3.400
Rmerge		0.047	0.516
Total number of observations		7513	35581
Number of reflections	68611
<I/σ(I)>	6.7	13.1	1.5
Completeness [%]	99.8	95.2	100
Redundancy	3.6	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M Bicina, 10 % PEG 20000, 4% 1,4-dioxano, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K