9J3G

Fe2+/pterin-dependent, apo SmPolE

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	53.251, 83.293, 94.189
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.200 - 1.870
R-factor	0.2175
Rwork	0.215
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.088
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.480	1.920
High resolution limit [Å]	1.870	1.870
Rmerge	0.091	0.917
Rmeas		0.994
Rpim	0.038
Number of reflections	35383	2571
<I/σ(I)>	15.2
Completeness [%]	100.0
Redundancy	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M potassium thiocynate 0.1 M Bio-tris propane (pH 6.5) 20% PEG3350