7EV0

Crystal structure of pepsin cleaved C-terminal half of lactoferrin at 2.7A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9655
Spacegroup name	C 1 2 1
Unit cell lengths	153.508, 81.760, 111.794
Unit cell angles	90.00, 130.32, 90.00

Refinement procedure

Resolution	67.115 - 2.700
Rwork	0.241
R-free	0.31420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hbc
RMSD bond length	0.008
RMSD bond angle	1.605
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.115	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.200	0.030
Rmeas	0.420	0.040
Rpim	0.170
Number of reflections	29165	1996
<I/σ(I)>	2.7
Completeness [%]	97.6	98.31
Redundancy	3.1
CC(1/2)	0.890	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	Magnesium acetate, 20% PEG 3350