9MPY

Structure of Saro_1862, a UPF0261 domain protein from Novosphingobium aromaticivorans with bound acetovanillone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920105
Spacegroup name	P 21 21 21
Unit cell lengths	84.911, 96.421, 110.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.940 - 1.580
R-factor	0.1547
Rwork	0.154
R-free	0.18110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.277
Data reduction software	XDS (VERSION Jun 30, 2023 BUILT=20230630)
Data scaling software	XSCALE (VERSION Jun 30, 2024 BUILT=20241002))
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.940	50.000	1.620
High resolution limit [Å]	1.580	7.070	1.580
Rmerge	0.130	0.057	1.495
Rmeas	0.140	0.061	1.616
Number of reflections	124484	1540	9116
<I/σ(I)>	8.71
Completeness [%]	100.0
Redundancy	7.6
CC(1/2)	0.997	0.995	0.446

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.0M sodium citrate, 0.1 M sodium cacodylate, pH 6.5