1L0H

CRYSTAL STRUCTURE OF BUTYRYL-ACP FROM E.COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Wavelength(s)	0.97
Spacegroup name	P 63
Unit cell lengths	63.360, 63.360, 37.049
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.000
Rwork	0.205
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ACP I62M mutant PDB ENTRY 1L0I
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.269
Total number of observations	29701 *
Number of reflections	5485 *
Completeness [%]	94.0 *	90 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	290	Roujeinikova, A., (2002) Acta Crystallogr., Sect.D, 58, 330. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	reservoir	PEG20000	8-12 (%)
3	1	reservoir		30 (mM)
4	1	reservoir	sodium cacodylate	40 (mM)	pH6.0