7VZQ

The structure of GdmN V24Y/G157A/R158A/G188R mutant in complex with carbamoyl adenylate intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	P 31 2 1
Unit cell lengths	111.092, 111.092, 231.802
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.430 - 2.100
R-factor	0.1982
Rwork	0.196
R-free	0.23320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ven
RMSD bond length	0.007
RMSD bond angle	0.907
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.150	1.064
Number of reflections	96573	4783
<I/σ(I)>	18.875
Completeness [%]	100.0
Redundancy	19.8

Crystallization Conditions

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