4Y9J

Crystal Structure of Caenorhabditis elegans ACDH-11 in complex with C11-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	138.561, 116.676, 115.289
Unit cell angles	90.00, 124.02, 90.00

Refinement procedure

Resolution	50.000 - 1.800
R-factor	0.1475
Rwork	0.145
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1000207001
RMSD bond length	0.019
RMSD bond angle	1.972
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.061	0.031	0.780
Total number of observations	1052812
Number of reflections	139311
<I/σ(I)>	11.4		2.2
Completeness [%]	99.8	95.9	100
Redundancy	7.5	7.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	PEG 3350, Tris, magnesium formate