1FTE

CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE ACYL CARRIER PROTEIN SYNTHASE (NATIVE 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-04-29
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	49.824, 59.561, 113.738
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.229 *
Rwork	0.229
R-free	0.29100
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	22.307 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.049	0.230
Total number of observations	336325 *
Number of reflections	14842
<I/σ(I)>	25.6	4.5
Completeness [%]	96.0	84
Redundancy	4.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.1 *	294 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop		10 (mM)
3	1	drop		14 (mM)
4	1	drop	Tris-HCl	20 (mM)
5	1	reservoir	PEG4000	8-15 (%)
6	1	reservoir	ammonium sulfate	200 (mM)
7	1	reservoir	citrate	100 (mM)