13LV

Structure of PKMYT1 bound to allosteric inhibitor P29-(S)

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	2024-06-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	P 61 2 2
Unit cell lengths	60.398, 60.398, 379.379
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.640 - 2.220
R-factor	0.2292
Rwork	0.227
R-free	0.26910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.451
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.335	2.478
High resolution limit [Å]	2.220	2.220
Number of reflections	14047	702
<I/σ(I)>	13.7
Completeness [%]	93.9
Redundancy	21.3
CC(1/2)	0.998	0.611

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