13LX

Structure of PKMYT1 bound to inhibitor P32-(R)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-12-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.919921
Spacegroup name	C 2 2 21
Unit cell lengths	48.813, 134.247, 113.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.560 - 2.200
R-factor	0.249
Rwork	0.247
R-free	0.27960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.501
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.440	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.129	5.009
Rmeas	0.138	5.314
Rpim	0.047	1.751
Total number of observations	166067	14468
Number of reflections	19481	1653
<I/σ(I)>	9.5	0.7
Completeness [%]	100.0
Redundancy	8.5	8.8
CC(1/2)	0.999	0.501

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	0.1 M BIS-TRIS, pH 5.5, 3.0 M NaCl