9ULL

Mogamulizumab in complex with CCR4 N-terminus peptide (S14-S24)

Refinement Statistics

Experimental method: SOLUTION SCATTERING, X-RAY DIFFRACTION (1.63 Å)

Cell axes	41.270	67.440	87.830
Cell angles	87.20	82.70	79.25
Spacegroup	P 1
Resolution limits	29.19 - 1.63

Crystallization Conditions

crystal ID	method	pH	pH range	temperature	unit
1	VAPOR DIFFUSION, HANGING DROP			293

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	41.270, 67.440, 87.830
Unit cell angles	87.20, 82.70, 79.25

Refinement procedure

Resolution	29.190 - 1.630
R-factor	0.1695
Rwork	0.168
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.765
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.20_4459: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.630	1.630
Number of reflections	109257	5298
<I/σ(I)>	11.3
Completeness [%]	94.8
Redundancy	2
CC(1/2)	0.999	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Sodium HEPES pH 7.5, 20% (W/V) PEG 4000, 10% v/v 2-Propanol