8JP2

Crystal structure of AKR1C1 in complex with DFV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-13
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54184
Spacegroup name	P 1 21 1
Unit cell lengths	39.462, 83.837, 49.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.777 - 1.800
R-factor	0.1991
Rwork	0.197
R-free	0.24910
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.926
Data reduction software	CrysalisPro
Data scaling software	SCALA
Refinement software	PHENIX ((dev_3283: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.230	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.106
Number of reflections	29670	2944
<I/σ(I)>	10.5
Completeness [%]	99.6	99.8
Redundancy	2
CC(1/2)	0.939	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	298	23-27% (w/v) PEG 4000, 100 mM Hepes , 10 mM CaCl2 and 0.4 M NaCl