7R8Z

Ancestral protein AncEn of Phosphomethylpyrimidine kinases family

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45867
Spacegroup name	P 43 2 2
Unit cell lengths	78.451, 78.451, 142.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.150 - 2.300
R-factor	0.2046
Rwork	0.204
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jxh
RMSD bond length	0.002
RMSD bond angle	0.518
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.150	2.380
High resolution limit [Å]	2.298	2.298
Rmerge	0.089	1.648
Rmeas	0.091	1.683
Rpim	0.018	0.338
Number of reflections	20580	1984
<I/σ(I)>	26.96	1.91
Completeness [%]	99.8
Redundancy	25
CC(1/2)	1.000	0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	292	Protein condition: Protein 20 mg/mL, HEPES 50 mM pH 8.0, NaCl 150 mM and 2-mercaptoethanol 5 mM Reservoir condition: Potassium sodium tartrate 0.8 M, Tris 0.1 M pH 8.0, PEG-MME 5000 0.5% v/v