9XB4

Crystal structure of Mrt4 (L96C) mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97861
Spacegroup name	C 1 2 1
Unit cell lengths	60.245, 65.541, 71.205
Unit cell angles	90.00, 112.12, 90.00

Refinement procedure

Resolution	41.560 - 2.500
R-factor	0.2233
Rwork	0.217
R-free	0.28270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.046
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.560	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	8932	891
<I/σ(I)>	10.57
Completeness [%]	97.5
Redundancy	6.3
CC(1/2)	0.995	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	0.1 M bicine and 2.22 M (NH4)2SO4