8OZS

Populus tremula stable protein 1 with N-terminal binding peptide extension with hemin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-26
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873128
Spacegroup name	P 1 21 1
Unit cell lengths	97.059, 94.372, 168.069
Unit cell angles	90.00, 90.22, 90.00

Refinement procedure

Resolution	48.600 - 2.400
R-factor	0.1874
Rwork	0.185
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.847
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.600	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.115
Rmeas	0.140
Number of reflections	118649	5863
<I/σ(I)>	6.3
Completeness [%]	99.8
Redundancy	5.5
CC(1/2)	0.996	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	7.5% v/v Tacsimate pH 7.0, 5% v/v 2-Propanol, 0.1M Imidazole pH 7.0, 13% w/v PEG 3350