1L0I

Crystal structure of butyryl-ACP I62M mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-09
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	27.347, 41.941, 64.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 1.200
Rwork	0.160
R-free	0.19300
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	2.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	WARPNTRACE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	12.000 *	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.086	0.391
Total number of observations	73325 *
Number of reflections	21956
Completeness [%]	92.0	86

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	reservoir	PEG4000	18-23 (%)
2	1	reservoir	zinc acetate	20 (mM)
3	1	reservoir	sodium cacodylate	50 (mM)	pH6.0
4	1	drop	protein	15 (mg/ml)