9MGR

Crystal structure of PRMT5:MEP50 in complex with MTA and compound 51

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-21
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	I 2 2 2
Unit cell lengths	102.946, 137.889, 178.607
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	109.150 - 2.070
R-factor	0.2241
Rwork	0.222
R-free	0.27273
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	1.005
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	109.150	109.150	2.365
High resolution limit [Å]	2.070	7.410	2.070
Rmerge	0.160	0.042	1.343
Rpim	0.045	0.012	0.420
Number of reflections	36863	1843	1843
<I/σ(I)>	12.9	42.2	1.9
Completeness [%]	93.5	100	81.5
Redundancy	13.5	13.3	11.1
CC(1/2)	0.998	0.999	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	10% PEG 4000, 0.1 M sodium citrate (pH 6.0), 0.2 M magnesium chloride