9J2E

Fe2+/pterin-dependent,apo SnPolE

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	2022-11-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	82.805, 91.079, 112.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.940 - 2.000
R-factor	0.198
Rwork	0.196
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.853
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]	23.940	2.050
High resolution limit [Å]	2.000	2.000
Rmerge		1.264
Rmeas	0.141
Number of reflections	58211	4266
<I/σ(I)>	13.4
Completeness [%]	99.9
Redundancy	13

Crystallization Conditions

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