9JYM

YdiU complexed with NAD and Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-07
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979191
Spacegroup name	P 21 21 21
Unit cell lengths	45.725, 95.722, 119.311
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.330 - 2.070
R-factor	0.1533
Rwork	0.151
R-free	0.19190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lna
RMSD bond length	0.006
RMSD bond angle	0.849
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	MOLREP
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.770	2.120
High resolution limit [Å]	2.070	2.070
Number of reflections	32400	2121
<I/σ(I)>	17.4
Completeness [%]	98.9
Redundancy	10.9
CC(1/2)	0.996	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	75 mM Tris (pH8.5), 1.5M ammonium sulfate, 25% v/v glycerol