5IDY

Crystal structure of an oxidoreductase from Burkholderia vietnamiensis in complex with NADP

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	2016-02-18
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 43 21 2
Unit cell lengths	109.720, 109.720, 111.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.850
R-factor	0.1457
Rwork	0.145
R-free	0.17400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5idx
RMSD bond length	0.019
RMSD bond angle	1.572
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (dev_2313)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.900
High resolution limit [Å]	1.850	8.270	1.850
Rmerge	0.069	0.023	0.486
Number of reflections	58310
<I/σ(I)>	28.38	63.42	6.12
Completeness [%]	100.0	98.3	100
Redundancy	14.46		14.81
CC(1/2)	1.000

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; 5mM NADP soak; 20% eg cryo; puck ukc9-1