7F7J

The crystal structure of AKR4C17

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	2020-01-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97892
Spacegroup name	P 61 2 2
Unit cell lengths	77.612, 77.612, 451.986
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.820 - 1.930
R-factor	0.1812
Rwork	0.180
R-free	0.21110
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 (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.000
High resolution limit [Å]	1.930	4.150	1.930
Rmerge	0.118	0.088	0.326
Rmeas	0.126	0.093	0.343
Rpim	0.042	0.031	0.103
Total number of observations	458237
Number of reflections	59007	6827	5466
<I/σ(I)>	7.9
Completeness [%]	94.6	99.6	90.3
Redundancy	7.8	9.4	8.5
CC(1/2)		0.995	0.951

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