5T6C

Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-methylpyridinyl-methoxy-phenyl-pyridine piperazine ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-11
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	51.143, 58.599, 152.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.000 - 1.900
R-factor	0.22491
Rwork	0.223
R-free	0.25629
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cax
RMSD bond length	0.022
RMSD bond angle	2.091
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.500	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.084	0.335
Number of reflections	36493
<I/σ(I)>	13.8	4.3
Completeness [%]	99.0	99.4
Redundancy	4.4	3.7
CC(1/2)	0.995	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	25%PEG3350,0.2M NACL