6TVI

Salmonella typhimurium mutant neuraminidase (D100S)+ DANA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.90
Spacegroup name	P 21 21 21
Unit cell lengths	47.068, 81.781, 91.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.959 - 1.000
Rwork	0.118
R-free	0.13320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sil
RMSD bond length	0.022
RMSD bond angle	2.280
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.960	1.020
High resolution limit [Å]	1.000	1.000
Rmeas	0.091	0.573
Number of reflections	188880	9266
<I/σ(I)>	11.5	3.2
Completeness [%]	99.7	100
Redundancy	5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Crystals grown by hanging drop vapour diffusion. A 1:1 mixture of 15mg/ml protein solution and an 8:4 mixture of 3.0M K2HPO4 to 1.4M KH2P04 was placed above a well of an 8:6 solution of 3.0M K2HPO4 to 1.4M KH2PO4. Then serially cryoprotected in situ to 40% glycerol (v/v with mother liquor) in 10% increments over a period of a few minutes.