1FTF

CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE ACYL CARRIER PROTEIN SYNTHASE (NATIVE 2)

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	1999-06-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	116.043, 59.291, 49.629
Unit cell angles	90.00, 98.77, 90.00

Refinement procedure

Resolution	20.000 - 2.050
R-factor	0.208 *
Rwork	0.208
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fte
RMSD bond length	0.005
RMSD bond angle	22.603 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.060	0.301
Total number of observations	423425 *
Number of reflections	20366
<I/σ(I)>	26.5	5
Completeness [%]	94.0	89
Redundancy	6.2

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)