2NMT

MYRISTOYL-COA:PROTEIN N-MYRISTOYLTRANSFERASE BOUND TO MYRISTOYL-COA AND PEPTIDE ANALOGS

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Wavelength(s)	0.9668, 0.9789, 0.9792
Spacegroup name	P 31 2 1
Unit cell lengths	105.400, 105.400, 106.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.900
R-factor	0.228
Rwork	0.228
R-free	0.29700
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	2.100 *
Data scaling software	SCALEPACK
Phasing software	CNS (0.3)
Refinement software	CNS (0.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.900
Rmerge	0.044	0.200 *
Total number of observations	98161 *
Number of reflections	14314
Completeness [%]	91.9 *	86.8 *
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.25 *	4 *	pH 6.2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	enzyme	50 (mg/ml)
10	1	reservoir	glycerol	21.5 (%(v/v))
2	1	1	HEPES	50 (mM)
3	1	1	EDTA	1 (mM)
4	1	1	dithiothreitol	1 (mM)
5	1	drop	glycerol	18 (%(v/v))
6	1	drop	protein	25-30 (mg/ml)
7	1	reservoir	PEG4000	9-11 (%)
8	1	reservoir	zinc acetate	50 (mM)
9	1	reservoir	sodium cacodylate	100 (mM)