7F7M

AKR4C17 in complex with NADP+ and glyphosate

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	2021-02-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00797
Spacegroup name	P 61 2 2
Unit cell lengths	77.640, 77.640, 451.888
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.820 - 2.470
R-factor	0.1978
Rwork	0.194
R-free	0.24430
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	2.560
High resolution limit [Å]	2.470	5.310	2.470
Rmerge	0.114	0.063	0.491
Rmeas	0.122	0.067	0.518
Rpim	0.038	0.021	0.152
Total number of observations	254457
Number of reflections	29709	3228	2891
<I/σ(I)>	5.6
Completeness [%]	97.3	94.1	98.7
Redundancy	8.6	8.3	8.5
CC(1/2)		0.997	0.864

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