6M7K

Structure of mouse RECON (AKR1C13) in complex with cyclic AMP-AMP-GMP (cAAG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-08-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97910
Spacegroup name	P 21 21 21
Unit cell lengths	50.597, 57.070, 110.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.020 - 1.100
R-factor	0.143
Rwork	0.143
R-free	0.15740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uxf
RMSD bond length	0.011
RMSD bond angle	1.421
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.020	1.120
High resolution limit [Å]	1.100	1.100
Rpim	0.029
Number of reflections	130194	6242
<I/σ(I)>	14	2.6
Completeness [%]	99.7	97.5
Redundancy	9.1	8.2
CC(1/2)	0.999	0.813

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.0 M lithium chloride, 0.1 M sodium acetate, 30% PEG6000