5IDX

Crystal structure of an oxidoreductase from Burkholderia vietnamiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-03
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 43 21 2
Unit cell lengths	110.750, 110.750, 110.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.165 - 1.950
R-factor	0.1619
Rwork	0.161
R-free	0.19870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o5i
RMSD bond length	0.006
RMSD bond angle	0.713
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (dev_2313)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]			2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.074	0.025	0.569
Rmeas	0.078	0.026	0.597
Total number of observations	522083
Number of reflections	50463	658	3678
<I/σ(I)>	23.21	52.48	4.6
Completeness [%]	100.0	97.3	100
CC(1/2)	0.999	1.000	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	MCSG1 C8 (269601c8): 200mM Ammonium sulfate, 100mM Sodium citrate-HCl pH5.6, 25% PEG4000, 4mM NAD; protein conc. 21.43mg/mL; 20% eg cryo; puck dom8-6