3PQB

The crystal structure of pregilvocarcin in complex with GilR, an oxidoreductase that catalyzes the terminal step of gilvocarcin biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	68.003, 115.973, 291.405
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.985 - 2.324
R-factor	0.1741
Rwork	0.172
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.303
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_501))

Data quality characteristics

	Overall
Low resolution limit [Å]	45.700
High resolution limit [Å]	2.300
Number of reflections	98524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100 mM Tris 8.5, 200 mM MgCl2, 20% PEG 8000, 5-15% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K