9EF6

Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and inhibitor 20045

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.999987
Spacegroup name	P 1 21 1
Unit cell lengths	54.455, 88.259, 98.238
Unit cell angles	90.00, 97.62, 90.00

Refinement procedure

Resolution	46.050 - 1.950
R-factor	0.1684
Rwork	0.167
R-free	0.19150
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	0.761
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.164	0.082	1.261
Rmeas	0.188	0.096	1.431
Rpim	0.089	0.047	0.662
Total number of observations	299986
Number of reflections	66407	3430	3287
<I/σ(I)>	9.9
Completeness [%]	98.9	99.2	99.9
Redundancy	4.5	4.5	4.5
CC(1/2)	0.981	0.982	0.215

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100 mM Bis-Tris, pH 6.05, 26.14% w/v PEG3350