7VYP

The structure of GdmN complex with the natural tetrahedral intermediate, carbamoylated derivative, and AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 31 2 1
Unit cell lengths	111.029, 111.029, 231.276
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.760 - 2.880
R-factor	0.1685
Rwork	0.166
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ven
RMSD bond length	0.009
RMSD bond angle	1.058
Data reduction software	HKL-3000 (v716.1)
Data scaling software	HKL-3000 (v716.1)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.930
High resolution limit [Å]	2.880	2.880
Rmerge	0.129
Rmeas	0.136
Rpim	0.043
Number of reflections	38176	1880
<I/σ(I)>	21.167
Completeness [%]	100.0
Redundancy	9.8
CC(1/2)	0.989	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Lithium sulfate monohydrate, Polyethylene glycol 3,350, Tris