9VYL

Crystal structure of BdThsB1 with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-03-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	43.586, 43.574, 285.783
Unit cell angles	90.00, 90.03, 90.00

Refinement procedure

Resolution	34.668 - 1.539
Rwork	0.147
R-free	0.18280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.660
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.570
High resolution limit [Å]	1.539	1.540
Rmeas	0.070	0.518
Rpim	0.038	0.290
Number of reflections	159272	297900
<I/σ(I)>	23.09	2.25
Completeness [%]	99.7
Redundancy	5.78
CC(1/2)	0.997	0.793

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	283.15	10mg/ml protein, 160mM MgCl2, 100mM Tris pH7.5, 22.6% (w/v) PEG3350 (well) 1:1:0.2 protein/well/additive. the additive solution is 100mM Spermidine