1OX0

The crystal structure of beta-ketoacyl-[acyl carrier protein] synthase II from Streptococcus pneumoniae

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 21 21 2
Unit cell lengths	63.666, 89.973, 62.202
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.300
R-factor	0.13825
Rwork	0.138
R-free	0.16000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.810 *
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]	15.000	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.080 *	0.351 *
Total number of observations	1002530 *
Number of reflections	88233 *
Completeness [%]	99.8	99.8
Redundancy	8.5 *	7.1 *

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)