2C4L

Structure of Neuraminidase Subtype N9 Complexed with 30 MM Sialic Acid (NANA, NEU5AC), Crystal Soaked for 24 Hours at 291 K and Finally Backsoaked for 30 Min in a Cryoprotectant Solution which did not contain NEU5AC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200H
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-06-11
Detector	MAR scanner 345 mm plate
Spacegroup name	I 4 3 2
Unit cell lengths	181.178, 181.178, 181.178
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.700 - 2.150
R-factor	0.157
Rwork	0.155
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7nn9
RMSD bond length	0.017
RMSD bond angle	1.612
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.700	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.110	0.340
Number of reflections	27820
<I/σ(I)>	6.1	2.2
Completeness [%]	100.0	100
Redundancy	10.7	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.8		PROTEIN WAS CRYSTALLISED FROM 1.9M POTASSIUM PHOSPHATE PH 6.8, THEN SOAKED FOR 24 HOURS IN 30 MM NEU5AC AND FINALLY BACKSOAKED FOR 30 MIN IN A CRYOPROTECTANT SOLUTION WHICH DID NOT CONTAIN NEU5AC