4BQ4

Structural analysis of an exo-beta-agarase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH MX-300
Spacegroup name	P 21 21 21
Unit cell lengths	69.230, 116.010, 208.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.290 - 2.050
R-factor	0.16514
Rwork	0.163
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bq2
RMSD bond length	0.013
RMSD bond angle	1.580
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]	40.000	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.100	0.380
Number of reflections	105772
<I/σ(I)>	10.9	3.3
Completeness [%]	99.5	97
Redundancy	5.5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				21% (W/V) PEG 3350, 0.24 M LITHIUM SULFATE, 0.1 M TRIS-HCL, PH 8.5