9C10

AMG 193, a clinical stage MTA-cooperative PRMT5 inhibitor, drives anti-tumor activity preclinically and in patients with MTAP-deleted cancers

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	103.653, 138.157, 178.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.320 - 2.850
R-factor	0.2625
Rwork	0.261
R-free	0.29930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gqb
RMSD bond length	0.007
RMSD bond angle	1.016
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.320	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.076	0.076
Number of reflections	30217	30217
<I/σ(I)>	24.6	4.9
Completeness [%]	99.8
Redundancy	12.6
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	0.1M Na citrate tribasic dihydrate pH 5.6 2% Tascimate pH 5.0, 16% PEG 3350