22UY

S-adenosyl-L-methionine hydrolase(MJ1651) mutant-R89A

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	2026-01-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	122.550, 160.770, 124.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.590 - 2.750
R-factor	0.2018
Rwork	0.198
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.258
Data reduction software	xia2
Data scaling software	xia2
Phasing software	HKL-3000
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.592	2.820
High resolution limit [Å]	2.750	2.750
Number of reflections	32105	3260
<I/σ(I)>	19.8
Completeness [%]	99.7
Redundancy	2
CC(1/2)	0.999	0.646

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.15	0.1 M HEPES, 2.0 M Ammonium formate