6D2V

Apo Structure of TerB, an NADP Dependent Oxidoreductase in the Terfestatin Biosynthesis Pathway

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	2017-12-07
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	58.516, 80.598, 139.518
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.716 - 1.901
R-factor	0.1632
Rwork	0.161
R-free	0.19780
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	0.853
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.12_2829))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.346	47.346	2.020
High resolution limit [Å]	1.900	5.670	1.900
Rmerge	0.083	0.025	0.716
Rmeas	0.089	0.027	0.769
Total number of observations	387913
Number of reflections	52609	2146	8373
<I/σ(I)>	18.51	56.63	3.14
Completeness [%]	99.7	98.7	99.3
Redundancy	7.374	6.774	7.348
CC(1/2)	0.999	1.000	0.919

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.1 M Potassium thiocyanate, 30% w/v PEG Monomethyl ether 2000, 50 mM NaCl, 10 mM HEPES buffer pH 7.0