9Z5L

Crystal structure of TgCDPK1 with bound inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	48.160, 72.280, 67.400
Unit cell angles	90.00, 102.43, 90.00

Refinement procedure

Resolution	48.670 - 1.800
R-factor	0.2213
Rwork	0.219
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.742
Data reduction software	XDS (build 20240712)
Data scaling software	Aimless (v0.7.4)
Phasing software	PHASER (v1.21)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.670	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.183	3.175
Number of reflections	40059	1612
<I/σ(I)>	7.4
Completeness [%]	95.6
Redundancy	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	0.1 M HEPES pH 7.4, 20% PEG 3350, 0.2 M alpha Malic Acid