6F2P

Structure of Paenibacillus xanthan lyase to 2.6 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 43 21 2
Unit cell lengths	100.610, 100.610, 324.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.053 - 2.600
R-factor	0.167
Rwork	0.165
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2e24
RMSD bond length	0.006
RMSD bond angle	0.990
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.053	2.670
High resolution limit [Å]	2.600	2.600
Rmeas	0.208	1.388
Number of reflections	51793	3728
<I/σ(I)>	11.43	1.82
Completeness [%]	98.5	97.9
Redundancy	8.1	7.3
CC(1/2)	0.994	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	Protein: 4 mg/mL. Reservoir: 0.2 M CaCl2, 0.1 M Bis-Tris pH5.5, 45 %v/v MPD. 100 uL Drop: 75 % protein 25 % reservour. 0.3 uL