4RCN

Structure and function of a single-chain, multi-domain long-chain acyl-coa carboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-14
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 3
Unit cell lengths	220.880, 220.880, 220.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 3.010
R-factor	0.209
Rwork	0.209
R-free	0.26200
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.3)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.000
Rmerge	0.096
Number of reflections	64953
<I/σ(I)>	10.3
Completeness [%]	99.3
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	277	1.5 M ammonium sulfate, 0.1 M bis tris propane, pH 7.5, under oil, temperature 277K, EVAPORATION