9HFV

MyD88 peptide_2 bound to SPOP MATH domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-28
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.6199
Spacegroup name	P 21 21 21
Unit cell lengths	39.830, 57.080, 61.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.390 - 1.450
R-factor	0.1653
Rwork	0.163
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.770	1.500
High resolution limit [Å]	1.450	1.450
Number of reflections	25391	2472
<I/σ(I)>	20.5
Completeness [%]	99.9
Redundancy	13.1
CC(1/2)	1.000	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	10% w/v PEG 20,000, 20% v/v PEG MME 550, 0.03 M magnesium chloride, 0.03 M calcium chloride, 0.1 M MOPS/HEPES-Na pH 7.5