7L9R

Crystal Structure of a putative deoxyhypusine synthase from Entamoeba histolytica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-06-20
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 65 2 2
Unit cell lengths	85.900, 85.900, 424.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.730 - 2.400
R-factor	0.1886
Rwork	0.187
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	domains from PDB entries 6p4v and 3n89 as per Morda
RMSD bond length	0.004
RMSD bond angle	0.646
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.19rc4 4035)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.068	0.039	0.574
Rmeas	0.072	0.041	0.598
Number of reflections	37832	546	2705
<I/σ(I)>	22.39	46.45	3.61
Completeness [%]	99.9	96	100
Redundancy	11.678	8.489	12.202
CC(1/2)	0.999	0.999	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	287	Microlytic MCSG1 screen, condition F3: 200mM ammonium citrate dibasic pH 5, 20% (w/V) PEG 3350: EnhiA.00933.a.A1.PW26259 at 25.43mg/ml + 4mM NAD + 4mM GC7 (Deoxyhypusine Synthase Inhibitor) : tray 314273 F3: cryo: 20% EG + compounds: puck: tds8-2