9ZKG

VRK1 in complex with the inhibitor MP-60

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97718
Spacegroup name	P 21 21 21
Unit cell lengths	91.460, 95.930, 191.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.970 - 2.060
R-factor	0.1825
Rwork	0.181
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.642
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.970	2.180
High resolution limit [Å]	2.050	2.050
Rmeas	0.264	2.346
Number of reflections	106167	16844
<I/σ(I)>	9.9	1.14
Completeness [%]	99.8	98.8
Redundancy	13.2	13.5
CC(1/2)	0.996	0.479

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	303	30,25% PEG3350, 0.2 M LiSO4, 0.1M SBG pH 6,5