9B86

FetB apo from Porphyromonas gingivalis without heme group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	80
Detector technology	PIXEL
Collection date	2021-06-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.94644
Spacegroup name	P 21 21 21
Unit cell lengths	48.631, 49.817, 98.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.800 - 1.600
R-factor	0.2036
Rwork	0.202
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.889
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.630	3.440
High resolution limit [Å]	1.600	1.600
Number of reflections	32713	32654
<I/σ(I)>	19.8
Completeness [%]	99.8
Redundancy	3
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	150 mM MgCl2 24% PEG4000 Bis-Tris pH 6.4