9L4Q

Crystal structure of the carbamoyl N-methyltransferase Asc-Orf2 complexed with SAH

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	2024-01-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	P 1
Unit cell lengths	41.677, 45.761, 48.116
Unit cell angles	89.65, 89.83, 88.42

Refinement procedure

Resolution	41.660 - 2.270
R-factor	0.1996
Rwork	0.196
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.027
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.660	2.390
High resolution limit [Å]	2.270	2.270
Rmerge	0.075	0.338
Rmeas	0.107	0.478
Number of reflections	15338	1755
<I/σ(I)>	9	2.4
Completeness [%]	93.2	72.9
Redundancy	2.8	2.5
CC(1/2)	0.994	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	300	0.1 M Tris-HCl, pH 7.0, 1.2 M Sodium citrate