3S6O

Crystal structure of a Polysaccharide deacetylase family protein from Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-23
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	51.410, 165.660, 165.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.850
R-factor	0.22
Rwork	0.218
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cl6
RMSD bond length	0.018
RMSD bond angle	1.596
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.074	0.032	0.286
Number of reflections	139861	1626	9862
<I/σ(I)>	14.58	29.2	4
Completeness [%]	97.3	89.4	93.8
Redundancy	3.45		2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	20% PEG3350, 0.2 M Ammonium formate, protein at 110 mg/mL., pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K