6N1F

Crystal structure of Oxidoreductase, 2OG-Fe(II) oxygenase family, from Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-01
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	47.030, 54.990, 112.100
Unit cell angles	77.66, 87.03, 64.73

Refinement procedure

Resolution	27.351 - 2.050
R-factor	0.209
Rwork	0.208
R-free	0.24160
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.859
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_3304))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.351	27.351	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.070	0.051	0.345
Rmeas	0.081	0.060	0.413
Total number of observations	228439
Number of reflections	59902	594	4015
<I/σ(I)>	11.64	22.66	3.17
Completeness [%]	96.3	86.3	87.5
Redundancy	3.814	3.419	3.339
CC(1/2)	0.997	0.996	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Hampton Research PACT screen F12: 200mM sodium malonate dibasic, 20% PEG 3350, 100mM BisTris propane/HCl pH 6.5: BupsA.17629.a.A1.PD38303 at 10.9mg/ml: cryo: 20% EG: tray 299888F12: puck WTM5-3