8VIJ

Crystal structure of Shewanella benthica Group 1 truncated hemoglobin Y34F C51S C71S variant (cyanomet)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-03
Detector	RIGAKU HyPix-Arc 100
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	27.464, 105.154, 151.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.970 - 1.350
R-factor	0.1638
Rwork	0.163
R-free	0.20120
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.780
Data reduction software	CrysalisPro (CrysAlisPro 42.64a)
Data scaling software	CrysalisPro (CrysAlisPro 42.64a)
Phasing software	PHASER (1.21rc1_5072)
Refinement software	PHENIX (1.21rc1_5072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.970	1.400
High resolution limit [Å]	1.350	1.350
Number of reflections	97066	9662
<I/σ(I)>	11.02	3.46
Completeness [%]	99.0	98.6
Redundancy	5	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	23% PEG MME 2000, 100 mM Bis-Tris pH 6.5, 10 mM KCN