7B1J

Orthorhombic P21212 Structure of Human Mad1 C-terminal Domain in Complex with Phosphorylated Bub1 CD1 Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	87.680, 133.980, 34.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.750 - 2.900
R-factor	0.263
Rwork	0.261
R-free	0.29610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dzo
RMSD bond length	0.025
RMSD bond angle	2.330
Data reduction software	xia2
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.750	3.500
High resolution limit [Å]	2.900	2.900
Rmerge	0.033	0.469
Rmeas	0.036	0.510
Rpim	0.014	0.020
Number of reflections	9638	454
<I/σ(I)>	25.9	3.9
Completeness [%]	100.0	99.6
Redundancy	3.6	3.6
CC(1/2)	1.000	0.977

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% Isopropanol, 0.1 M Na HEPES, pH 7.5, 20% PEG 4000