9EF8

Crystal structure of Cryptosporidium parvum N-myristoyltransferase with bound myristoyl-CoA and inhibitor 20084

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	2019-09-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.999977
Spacegroup name	P 21 21 21
Unit cell lengths	44.961, 68.664, 149.991
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.070 - 2.210
R-factor	0.1825
Rwork	0.180
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.764
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.176	0.065	0.575
Rmeas	0.207	0.078	0.678
Rpim	0.107	0.041	0.350
Total number of observations	90999
Number of reflections	23935	1301	1127
<I/σ(I)>	5.2
Completeness [%]	99.2	95.9	96.2
Redundancy	3.8	3.5	3.7
CC(1/2)	0.968	0.992	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100 mM Bis-Tris, pH 6.05, 24.77% w/v PEG3350