8P0Z

AP01-S2.3 - a variant of a redesigned transferrin receptor apical domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	32.990, 57.370, 39.100
Unit cell angles	90.00, 113.15, 90.00

Refinement procedure

Resolution	35.950 - 1.880
R-factor	0.2143
Rwork	0.213
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.647
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18rc1_3777)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.950	1.947
High resolution limit [Å]	1.880	1.880
Rmerge	0.192	1.189
Rmeas	0.219	1.356
Rpim	0.104	0.639
Number of reflections	10690	1053
<I/σ(I)>	5.72	0.75
Completeness [%]	97.1	93.5
Redundancy	4.2
CC(1/2)	0.988	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	11 mg/mL protein in 20 mM HEPES, pH 6.8, 150 mM NaCl mixed with 100 mM MIB buffer, pH 7.5, and 24 % PEG in a ratio 1:2