6ISV

Structure of acetophenone reductase from Geotrichum candidum NBRC 4597 in complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-06-24
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 65 2 2
Unit cell lengths	104.751, 104.751, 273.064
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.901 - 2.500
R-factor	0.221
Rwork	0.218
R-free	0.27180
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.027
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.901	2.600
High resolution limit [Å]	2.500	2.500
Rpim	0.029	0.562
Number of reflections	31670	3471
<I/σ(I)>	23.9	1.8
Completeness [%]	100.0
Redundancy	39.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.7	293	20% PEG3350 0.1 M Sodium Citrate dihydrate