4JE1

Crystal structure of thiol peroxidase from BURKHOLDERIA CENOCEPACIA J2315

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-16
Detector	ADSC QUANTUM 315
Wavelength(s)	1.283619
Spacegroup name	P 1
Unit cell lengths	38.910, 44.290, 53.080
Unit cell angles	88.13, 101.34, 115.10

Refinement procedure

Resolution	19.670 - 1.400
R-factor	0.152
Rwork	0.151
R-free	0.17100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.337
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.400
Number of reflections	61735

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	EBS INTERNAL TRACKING NUMBER HEPES (PH 7.0), 500 MM NACL, 2 MM DTT, 0.025% SODIUM AZIDE, 5% GLYCEROL, 0.4 UL X 0.4 UL DROP WITH 200 MM AMMONIUM NITRATE, 20% (W/V) PEG 3350. 20% ETHYLENE GLYCOL CRYOPROTECTANT, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K