7F7K

Crystal structure of AKR4C17 bound with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2021-01-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97892
Spacegroup name	P 61 2 2
Unit cell lengths	77.671, 77.671, 454.088
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.890 - 2.360
R-factor	0.1906
Rwork	0.188
R-free	0.22660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h7u
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.440
High resolution limit [Å]	2.360	5.070	2.360
Rmerge	0.087	0.045	0.426
Rmeas	0.094	0.048	0.457
Rpim	0.032	0.016	0.153
Total number of observations	259466
Number of reflections	34654	3881	3342
<I/σ(I)>	6.6
Completeness [%]	99.1	99.2	98.9
Redundancy	7.5	8.1	7.7
CC(1/2)		0.999	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	2.0 M Ammonium sulfate, 0.1 M MES pH 6.5 and 0.01 M CoCl2