9HGH

MyD88 peptide_1 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	2022-04-07
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.99987
Spacegroup name	P 21 21 21
Unit cell lengths	40.000, 57.290, 60.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.440 - 1.900
R-factor	0.1758
Rwork	0.173
R-free	0.23220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.132
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]	33.440	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	11453	1091
<I/σ(I)>	9.8
Completeness [%]	99.4	97.8
Redundancy	5.8
CC(1/2)	0.990	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.03 M diethyleneglycol, 0.03 M triethyleneglycol, 0.03 M tetraethyleneglycol, 0.03 M pentaethyleneglycol, 0.1 M bicine/Trizma base pH 8.5