5IDW

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-19
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	61.810, 49.230, 66.960
Unit cell angles	90.00, 94.99, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.1849
Rwork	0.181
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5idq
RMSD bond length	0.007
RMSD bond angle	0.825
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		2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.110	0.042	0.346
Number of reflections	27131
<I/σ(I)>	8.59	24.8	2.63
Completeness [%]	99.0	95.3	97.1
Redundancy	3.23		2.13
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	MCSG1 D10 (269027d10): 0.2 M Calcium Acetate 0.1 M Sodium Cacodylate:HCl pH 6.5 40% (v/v ) PEG 300; protein conc. 20.9mg/mL; 5mM NADP soak; direct cryo; puck foe9-7