9L29

YdiU in complex with NAD, short soaking experiment

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	2024-11-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	45.560, 95.340, 118.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.720 - 2.050
R-factor	0.20078
Rwork	0.199
R-free	0.24229
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9jyn
RMSD bond length	0.007
RMSD bond angle	1.549
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.720	47.720	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.232	0.040	3.246
Rmeas	0.241	0.042	3.376
Number of reflections	33367	442	2420
<I/σ(I)>	10.48
Completeness [%]	99.8
Redundancy	12.9
CC(1/2)	0.997	0.999	0.594

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	75 mM Tris (pH 8.5), 1.5 M ammonium sulfate, 25% glycerol (v/v)