4BQ2

Structural analysis of an exo-beta-agarase

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
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 41
Unit cell lengths	166.666, 166.666, 114.559
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.280 - 1.900
R-factor	0.17246
Rwork	0.170
R-free	0.21487
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.440
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.280	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.390
Number of reflections	245117
<I/σ(I)>	19.6	4.3
Completeness [%]	99.7	97.8
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				19% (W/V) PEG 3350, 0.22 M LITHIUM SULFATE, 0.1 M TRIS-HCL, PH 8.6