7S0U

PRMT5/MEP50 crystal structure with MTA and phthalazinone fragment bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	I 2 2 2
Unit cell lengths	98.748, 138.418, 177.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.980 - 2.010
R-factor	0.2325
Rwork	0.231
R-free	0.26450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gbq
RMSD bond length	0.002
RMSD bond angle	0.444
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.050
High resolution limit [Å]	2.010	2.010
Number of reflections	50573	1021
<I/σ(I)>	10.7
Completeness [%]	74.5
Redundancy	3
CC(1/2)	0.990	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		281	100 mM Sodium Citrate pH 5.4, 15% PEG3350, 4% Tascimate pH 5.0