3P2N

Discovery and structural characterization of a new glycoside hydrolase family abundant in coastal waters that was annotated as 'hypothetical protein'

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	72.990, 96.803, 126.836
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 1.950
R-factor	0.1718
Rwork	0.170
R-free	0.21323
Structure solution method	MAD
RMSD bond length	0.024
RMSD bond angle	1.835
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.075	0.435
Number of reflections	62740
<I/σ(I)>	8	3.9
Completeness [%]	94.8	85.5
Redundancy	6.1	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	14% PEG 6000, 4 mM Zinc chloride, 2% MPD, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	14% PEG 6000, 4 mM Zinc chloride, 2% MPD, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K