4ILV

Structure of the dioxygenase domain of SACTE_2871, a novel dioxygenase carbohydrate-binding protein fusion from the cellulolytic bacterium Streptomyces sp. SirexAA-E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 43 21 2
Unit cell lengths	62.463, 62.463, 195.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.807 - 2.060
R-factor	0.1859
Rwork	0.183
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.094
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.100
High resolution limit [Å]	2.060	5.590	2.060
Rmerge	0.076	0.031	0.736
Number of reflections	24673
<I/σ(I)>	7.3
Completeness [%]	98.3	98.1	95.7
Redundancy	9.5	8.4	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Protein Solution (10 mg/ml protein, 0.05 M NaCl, 0.010 M MOPS pH 7.0) mixed in a 1:1 ratio with the Well Solution (16% Polyethylene glycol 3350, 200mM Sodium Malonate, 100mM Bis-Tris pH 5.5). Cryoprotected with 16% Polyethylene glycol 3350, 200mM Sodium Malonate, 15% ethylene glycol, 100mM Bis-Tris pH 5.5, vapor diffusion, hanging drop, temperature 298K