8HIV

The structure of apo-SoBcmB with Fe(II) and AKG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-04-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 61 2 2
Unit cell lengths	101.677, 101.677, 130.922
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.783 - 2.200
R-factor	0.188791274986
Rwork	0.187
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.937
Data reduction software	xia2
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.030	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.111	0.942
Rmeas	0.115	0.979
Rpim	0.032	0.264
Number of reflections	20954	1769
<I/σ(I)>	17.2	5.1
Completeness [%]	100.0	100
Redundancy	12	13.8
CC(1/2)	0.998	0.873

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1M Potassium chloride, 0.1M HEPES pH 7, 1M Ammonium sulfate