9TH3

Guanidine prenyltransferase NosH in complex with FSPP, guanidine and Mg2+

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-13
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.8731
Spacegroup name	I 1 2 1
Unit cell lengths	95.862, 77.383, 99.720
Unit cell angles	90.00, 106.02, 90.00

Refinement procedure

Resolution	59.260 - 2.100
R-factor	0.1769
Rwork	0.175
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.153
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.050	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.066	0.372
Rmeas	0.082	0.468
Rpim	0.049	0.280
Number of reflections	200351	16685
<I/σ(I)>	12.4
Completeness [%]	100.0
Redundancy	4.9
CC(1/2)	0.998	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.2 M magnesium chloride, 0.1 M Tris pH 8.5 and 18.9% PEG8000 (w/v)