4ASI

Crystal structure of human ACACA C-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-05
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	109.966, 143.712, 540.072
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	540.070 - 2.800
R-factor	0.20367
Rwork	0.202
R-free	0.23589
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 2X24 AND 3FF6
RMSD bond length	0.011
RMSD bond angle	1.432
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	143.710	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.170
Number of reflections	207126
<I/σ(I)>	8	0.8
Completeness [%]	98.4	98.2
Redundancy	4.1	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.05M NA MALONATE; 19% (W/V) PEG3350