9AV6

Crystal structure of CMGC family protein kinase from Trichomonas vaginalis (Apo)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-19
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 2
Unit cell lengths	88.374, 107.224, 42.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	68.200 - 2.000
R-factor	0.1913
Rwork	0.189
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.024
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_5250: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	107.220	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.120	1.165
Rmeas	0.128	1.237
Rpim	0.044	0.410
Total number of observations	244482	18096
Number of reflections	27825	1998
<I/σ(I)>	9.3	1.9
Completeness [%]	100.0
Redundancy	8.8	9.1
CC(1/2)	0.996	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	JCSG+ F2: 3.15 M Ammonium Sulfate, 0.1M Citrate, pH 5.0, TrvaA.01010.a.B1.PW39249 at 16.4 mg/mL. plate 13855 well F2 drop3. Puck: PSL-0906, Cryo: 2.5 M Lithium Sulfate.