3HJV

1.7 Angstrom resolution crystal structure of an acyl carrier protein S-malonyltransferase from Vibrio cholerae O1 biovar eltor str. N16961

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	46.525, 87.789, 121.957
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.480 - 1.700
R-factor	0.14764
Rwork	0.145
R-free	0.19314
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.489
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXCD
Refinement software	REFMAC (5.5.0051)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.081	0.498
Number of reflections	105566
<I/σ(I)>	26.27	2.48
Completeness [%]	98.9	92.8
Redundancy	4.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	11	295	The home made "Pioneer" screen, condition 11, mixed at 1:1 v/v ratio with protein sample (16 mg/mL, 0.3 M NaCl and 0.5 mM TCEP, 10mM Hepes pH 7.5), VAPOR DIFFUSION, SITTING DROP, temperature 295K