5UZX

Crystal Structure of Putative short-chain dehydrogenase/reductase from Burkholderia multivorans with bound 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	2017-02-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	46.400, 76.150, 65.480
Unit cell angles	90.00, 109.86, 90.00

Refinement procedure

Resolution	43.195 - 1.500
R-factor	0.1656
Rwork	0.165
R-free	0.19910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tt1
RMSD bond length	0.005
RMSD bond angle	0.866
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (dev_2666)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.195	43.195	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.047	0.027	0.556
Rmeas	0.054	0.031	0.662
Number of reflections	67944	772	4815
<I/σ(I)>	14.9	34.81	2.01
Completeness [%]	99.1	96.5	95.2
Redundancy	4.071	3.983	3.292
CC(1/2)	0.999	0.998	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	MCSG-1 F10(287571F10): 0.1 M Tris HCl, pH 8.5, 2 M Ammonium Sulfate, cryo: 25% Ethylene Glycol +5mM NADP: BumuA.00010.z.B1.PS37887at 20 mg/ml, puck wdq6-5