3GPC

Crystal structure of human Acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in a complex with CoA

Replaces:  3EYN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	55.604, 97.535, 118.210
Unit cell angles	90.00, 89.99, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.16547
Rwork	0.162
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b7w
RMSD bond length	0.016
RMSD bond angle	1.611
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0089)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.074	0.355
Number of reflections	73279
<I/σ(I)>	8.3	2.5
Completeness [%]	77.9	81.7
Redundancy	2.4	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	25% PEG3350, 0.20M (NH4)2SO4, 0.1M BIS-TRIS, pH5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K