6OKE

Crystal structure of an apo Transferrin-Receptor-Binding cystine-dense peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-13
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 65
Unit cell lengths	37.656, 37.656, 190.198
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.890 - 2.550
R-factor	0.2237
Rwork	0.221
R-free	0.27920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.427
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmerge	0.102	0.057	0.280
Rmeas	0.109	0.060	0.337
Rpim	0.039	0.019	0.183
Number of reflections	5016	268	209
<I/σ(I)>	7.2
Completeness [%]	99.0	97.1	90.5
Redundancy	7.1	9.6	2.7
CC(1/2)		0.999	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	298	PEG 3350, Bis-tris, AmSO4