5U9P

Crystal structure of a gluconate 5-dehydrogenase from Burkholderia cenocepacia J2315 in complex with NADP and tartrate

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	2016-11-29
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	87.380, 91.680, 121.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.650
R-factor	0.136
Rwork	0.136
R-free	0.16390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ibo
RMSD bond length	0.009
RMSD bond angle	0.971
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.073	0.022	0.580
Number of reflections	116982
<I/σ(I)>	17.93	53.73	2.14
Completeness [%]	99.3	96.5	92.4
Redundancy	5.14	4.67	3.68
CC(1/2)	0.999	0.999	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Microlytic MCSG1 screen, E10: 20% (w/V) PEG 3350, 200mM Ammonium tartrate: BuceA.00010.x.B1.PW37241 at 20.44mg/ml + 4mM NADP: cryo: 20% EG + 10mM NADP in 2 steps: tray 285582 e10, puck bdg3-9