5B1Y

Crystal structure of NADPH bound carbonyl reductase from Aeropyrum pernix

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-19
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	91.628, 91.628, 177.587
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.100 - 2.090
Rwork	0.230
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uvd
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.090
Rmerge	0.064
Number of reflections	45349
<I/σ(I)>	10
Completeness [%]	99.7
Redundancy	15.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.0 M NaCl, 0.1 M acetate buffer