9T43

Human PRMT5:MEP50 in complex with AZD3470

This is a non-PDB format compatible entry.

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	2022-12-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95374
Spacegroup name	I 2 2 2
Unit cell lengths	102.290, 139.369, 178.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	109.860 - 2.180
R-factor	0.23577
Rwork	0.234
R-free	0.26840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.712
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	109.863	2.421
High resolution limit [Å]	2.180	2.182
Rmerge	0.068	0.903
Rpim	0.028	0.391
Number of reflections	37249	1863
<I/σ(I)>	14.8	1.9
Completeness [%]	91.8	77.4
Redundancy	6.8	7
CC(1/2)	0.999	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	298	14-16 w/v % PEG3350, 24-25 v/v % 2-methyl-2,4-pentanediol and 0.1 M tri-sodium-citrate buffer at pH 5.4