3NNB

Crystal structure of an alginate lyase (BACOVA_01668) from Bacteroides ovatus at 1.60 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-10
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	54.577, 80.166, 103.376
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.137 - 1.600
R-factor	0.145
Rwork	0.144
R-free	0.17500
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.452
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall
Low resolution limit [Å]	29.137
High resolution limit [Å]	1.600
Number of reflections	60601
Completeness [%]	100.0
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	1.600000000M NaCitrate, No Buffer pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K