9DQR

Crystal structure of HrmJ from Streptomyces sp. Ag109_G2-6 (HrmJ-ssa) complexed with vanadyl(IV)-oxo and succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-1
Synchrotron site	SSRL
Beamline	BL12-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97945
Spacegroup name	C 1 2 1
Unit cell lengths	98.622, 44.668, 126.433
Unit cell angles	90.00, 107.11, 90.00

Refinement procedure

Resolution	40.360 - 2.000
R-factor	0.1777
Rwork	0.176
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.168
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.21)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.060
Number of reflections	34947	1715
<I/σ(I)>	29.8	3.7
Completeness [%]	97.7
Redundancy	6.8
CC(1/2)	0.999	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.176 M KSCN, 20.8% (w/v) PEG 3350, 20 mM KCl