3NFV

Crystal structure of an alginate lyase (BACOVA_01668) from Bacteroides ovatus at 1.95 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-13
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1 21 1
Unit cell lengths	55.115, 54.133, 75.361
Unit cell angles	90.00, 105.49, 90.00

Refinement procedure

Resolution	43.402 - 1.950
R-factor	0.158
Rwork	0.156
R-free	0.19800
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.435
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.402	43.402	2.020
High resolution limit [Å]	1.950	4.190	1.950
Rmerge	0.101	0.058	0.470
Number of reflections	31230	3226	3082
<I/σ(I)>	8.83	19.1	2.3
Completeness [%]	99.2	98.8	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	20.000000000% iso-Propanol, 20.000000000% PEG-4000, 0.1M Citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K