1VI1

Crystal structure of a fatty acid/phospholipid synthesis protein

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.9795, 0.9641
Spacegroup name	H 3 2
Unit cell lengths	170.314, 170.314, 187.838
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.940 - 2.950
Rwork	0.285
R-free	0.33400
Structure solution method	Se-Met MAD phasing
RMSD bond length	0.014
RMSD bond angle	2.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (4.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.940	2.900
High resolution limit [Å]	2.820	2.800
Rmerge	0.125
Number of reflections	25534
<I/σ(I)>	15.5	2.2
Completeness [%]	85.7
Redundancy	11.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	10 (mM)	pH7.5
2	1	drop		150 (mM)
3	1	drop	methionine	10 (mM)
4	1	drop	glycerol	10 (%)
5	1	drop	dithiothreitol	5 (mM)
6	1	drop	protein	10 (mg/ml)