1MJ9

Crystal structure of yeast Esa1(C304S) mutant complexed with Coenzyme A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	93
Detector technology	CCD
Collection date	2001-03-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9790
Spacegroup name	I 41 3 2
Unit cell lengths	181.301, 181.301, 181.301
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
Rwork	0.232
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fy7
RMSD bond length	0.006 *
RMSD bond angle	1.222 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.083	0.316
Total number of observations	456785 *
Number of reflections	17931 *
<I/σ(I)>	28.6	7
Completeness [%]	99.7	99
Redundancy	25.6	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	20 *	sodium cacodylate, ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.2 (mM)
2	1	drop	CoA	0.5 (mM)
3	1	reservoir	sodium cacodylate	100 (mM)	pH6.5
4	1	reservoir	ammonium sulfate	1.5-1.7 (M)