1IYK

Crystal structure of candida albicans N-myristoyltransferase with myristoyl-COA and peptidic inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	288
Detector technology	DIFFRACTOMETER
Collection date	1996-11-02
Detector	WEISSENBERG
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	58.696, 95.334, 176.549
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.300
R-factor	0.206
Rwork	0.192
R-free	0.22300 *
Structure solution method	MIR
RMSD bond length	0.007
RMSD bond angle	24.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNX (2002)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.065	0.268
Number of reflections	41498
<I/σ(I)>	23.8	3.2
Completeness [%]	92.2 *	71.4
Redundancy	4.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	PEG3350, ammonium acetate, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	60 (mg/ml)
2	1	reservoir	PEG3350	10-12 (%(w/v))
3	1	reservoir	ammonium acetate	0.2 (M)
4	1	reservoir	HEPES	50 (mM)	pH7.5