7EVQ

Crystal structure of C-terminal half of lactoferrin obtained by limited proteolysis using pepsin at 2.6 A 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	153.246, 81.690, 110.227
Unit cell angles	90.00, 129.91, 90.00

Refinement procedure

Resolution	45.120 - 2.600
R-factor	0.2296
Rwork	0.227
R-free	0.28410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1BFL
RMSD bond length	0.010
RMSD bond angle	1.418
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.120	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.062	0.450
Rmeas	0.078	0.480
Rpim	0.039	0.260
Number of reflections	41125	1136
<I/σ(I)>	0.97	2.9
Completeness [%]	64.8	22.2
Redundancy	3	2.4
CC(1/2)	0.990	0.840

Crystallization Conditions

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