3KST

Crystal structure of Endo-1,4-beta-xylanase (NP_811807.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.89841,0.97915,0.97929
Spacegroup name	P 1 21 1
Unit cell lengths	60.019, 90.337, 60.037
Unit cell angles	90.00, 93.82, 90.00

Refinement procedure

Resolution	28.421 - 1.700
R-factor	0.147
Rwork	0.145
R-free	0.17900
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.746
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.421	28.421	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.060	0.021	0.370
Number of reflections	63151	10767	10464
<I/σ(I)>	9.07	25.4	2.2
Completeness [%]	78.3	77.4	76.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	0.2000M CaAcetate, 20.0000% PEG-3350, No Buffer pH 7.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K