9J2M

Fe2+/pterin-dependent enzyme,BH4-SnPolE complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	82.674, 91.364, 113.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.120 - 1.650
R-factor	0.2052
Rwork	0.204
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.922
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.120	1.709
High resolution limit [Å]	1.650	1.650
Rmerge	0.083	0.527
Number of reflections	101684	9323
<I/σ(I)>	15.08	2.5
Completeness [%]	98.0
Redundancy	9.7
CC(1/2)	0.992	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M sodium bromide 20% PEG3350