7KPI

Crystal structure of the SPOP MATH domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999995
Spacegroup name	C 1 2 1
Unit cell lengths	62.642, 53.246, 41.596
Unit cell angles	90.00, 101.39, 90.00

Refinement procedure

Resolution	40.780 - 1.700
R-factor	0.1611
Rwork	0.159
R-free	0.19570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ivb
RMSD bond length	0.011
RMSD bond angle	1.233
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.046	0.316
Rpim	0.018	0.120
Number of reflections	14537	693
<I/σ(I)>	46	9
Completeness [%]	98.3	95.2
Redundancy	7.6	7.7
CC(1/2)	0.982	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1 M HEPES, pH 7.5, 23% (w/v) PME 550, 5 mM DTT