9EF7

Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and inhibitor 20057

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)	1.000000
Spacegroup name	P 1 21 1
Unit cell lengths	53.812, 88.162, 97.985
Unit cell angles	90.00, 97.62, 90.00

Refinement procedure

Resolution	38.540 - 1.800
R-factor	0.1697
Rwork	0.168
R-free	0.19780
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.837
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	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.076	0.040	1.222
Rmeas	0.087	0.046	1.404
Rpim	0.041	0.022	0.675
Total number of observations	349940
Number of reflections	80552	4162	3924
<I/σ(I)>	11.3
Completeness [%]	96.6	97.7	94.8
Redundancy	4.3	4.2	4.3
CC(1/2)	0.993	0.998	0.440

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100 mM Bis-Tris, pH 5.42, 25.68% w/v PEG3350