3RDK

Protein crystal structure of xylanase A1 of Paenibacillus sp. JDR-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	105
Detector technology	CCD
Collection date	2009-02-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	165.113, 165.113, 66.355
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	117.040 - 1.490
R-factor	0.1472
Rwork	0.145
R-free	0.18415
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.029
RMSD bond angle	2.321
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall
Low resolution limit [Å]	117.040
High resolution limit [Å]	1.490
Rmerge	0.047
Number of reflections	148538
<I/σ(I)>	33.7
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	294.5	Protein to mother liquor at 2:1 ratio. mother liquor, 18% PEG 3350, 100mM HEPES, 200mM MgCl2, pH 7.1, VAPOR DIFFUSION, SITTING DROP, temperature 294.5K