4U6B

Zg3597, a family 117 glycoside hydrolase, produced by the marine bacterium Zobellia galactanivorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	F 2 2 2
Unit cell lengths	187.790, 223.520, 225.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.18016
Rwork	0.178
R-free	0.22521
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p2n
RMSD bond length	0.017
RMSD bond angle	1.885
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.420
High resolution limit [Å]	2.300	2.300
Number of reflections	103865
<I/σ(I)>	13.2
Completeness [%]	99.7
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	The optimized crystallization conditions for Zg3597 were: 16% glycerol, 0.15 M ammonium sulfate, and 20 % PEG 4000 in a 1:1 ratio with protein at 5 and 2.5 mg/mL and 14% PEG 3350 and 75 mM sodium acetate with a ratio of 2:1 protein (at 7.5 mg/mL) to mother liquor.