1OXH

The crystal structure of beta-ketoacyl-[acyl carrier protein] synthase II from Streptococcus Pneumoniae, Triclinic form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-09-17
Detector	MARRESEARCH
Wavelength(s)	0.979190
Spacegroup name	P 1
Unit cell lengths	61.520, 71.646, 96.100
Unit cell angles	89.83, 83.09, 69.15

Refinement procedure

Resolution	30.000 * - 2.100 *
R-factor	0.2088
Rwork	0.208
R-free	0.23500 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.620 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.180
High resolution limit [Å]	2.100 *	2.100 *
Rmerge	0.038 *	0.254 *
Total number of observations	937038 *
Number of reflections	90012 *
Completeness [%]	92.6 *	58.6
Redundancy	2.1 *	1.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	292	PEG 3350, magnesium acetate, Tris HCl, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 392K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	50 (mM)	pH7.5
2	1	reservoir	EDTA	1 (mM)
3	1	reservoir	dithiothreitol	1 (mM)
4	1	drop	protein	20 (mg/ml)