1JKJ

E. coli SCS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	1999-01-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.935
Spacegroup name	P 43 2 2
Unit cell lengths	96.630, 96.630, 386.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.640 - 2.350
R-factor	0.193
Rwork	0.192
R-free	0.23800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2scu
RMSD bond length	0.016
RMSD bond angle	24.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.053	0.324
Total number of observations	156588 *
Number of reflections	68244
<I/σ(I)>	14	2.5
Completeness [%]	89.4	73.5
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	7.3 *	21 *	Wolodko, W.T., (1984) J. Biol. Chem., 259, 5316. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	10 (mg/ml)
2	1	2	ammonium sulfate	1.9 (M)
3	1	2	potassium phosphate	0.1 (M)
4	1	2	dithiothreitol	1 (mM)
5	1	2	CoA	0.1 (mM)
6	1	2	EDTA	0.1 (mM)	pH7.3