7VZZ

The structure of GdmN in complex with the natural tetrahedral intermediate, carbamoyl adenylate, and 20-O-methyl-19-chloroproansamitocin

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	2019-04-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 31 2 1
Unit cell lengths	111.860, 111.860, 231.272
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.700 - 2.850
R-factor	0.1778
Rwork	0.175
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ven
RMSD bond length	0.010
RMSD bond angle	1.098
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	2.900
High resolution limit [Å]	2.850	2.850
Rmerge	0.118	0.500
Number of reflections	39792	1921
<I/σ(I)>	27.6
Completeness [%]	100.0
Redundancy	15.2

Crystallization Conditions

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