9Z1L

Structure of KIT V654A mutant with Compound 1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	103
Detector technology	PIXEL
Collection date	2025-06-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8856
Spacegroup name	P 43 21 2
Unit cell lengths	56.300, 56.300, 202.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.247 - 1.543
Rwork	0.165
R-free	0.20620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.985
Data reduction software	autoPROC
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.250	1.750
High resolution limit [Å]	1.540	1.540
Number of reflections	27422	1371
<I/σ(I)>	12.1
Completeness [%]	55.7
Redundancy	25.7
CC(1/2)	1.000	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	285	10% 2-propanol, 100 mM Na-Citrate pH 5.0, 8% PEG 4000