3GSM

Vibrio cholerae family 3 glycoside hydrolase (NagZ) bound to N-Valeryl-PUGNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-10-20
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	47.980, 86.440, 86.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.080 - 2.400
R-factor	0.2125
Rwork	0.209
R-free	0.27174
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oxn
RMSD bond length	0.011
RMSD bond angle	1.311
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.080	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.100	0.490
Number of reflections	14482
<I/σ(I)>	6.7	2.2
Completeness [%]	99.5	100
Redundancy	2.97	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	298	13% PEG 20,000, 10% glycerol, 100mM Bis-Tris pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K