5T5U

Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a methylpyridyl-dipihenyl-pyridine ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-02
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	51.035, 58.403, 152.635
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.400 - 1.800
R-factor	0.21043
Rwork	0.209
R-free	0.23821
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cax
RMSD bond length	0.011
RMSD bond angle	1.187
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]	42.400	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.051	0.262
Number of reflections	42412
<I/σ(I)>	12.9	3.4
Completeness [%]	99.0	96.2
Redundancy	2.8	2.8
CC(1/2)	0.997	0.852

Crystallization Conditions

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