1JLL

Crystal Structure Analysis of the E197betaA Mutant of E. coli SCS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-11-20
Detector	MARRESEARCH
Wavelength(s)	0.979
Spacegroup name	P 43 2 2
Unit cell lengths	97.060, 97.060, 389.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.380 - 2.690
R-factor	0.223
Rwork	0.222
R-free	0.25900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1jkj partially refined
RMSD bond length	0.017
RMSD bond angle	24.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.041	0.338
Total number of observations	152728 *
Number of reflections	48720
<I/σ(I)>	28	2.6
Completeness [%]	91.0	61.7
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	21 *	Bicine, ammonium sulfate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Bicine	100 (mM)	pH7.6
2	1	reservoir	ammonium sulfate	1.80-2.04 (M)
3	1	drop	protein	13.8 (mg/ml)
4	1	drop	CoA	0.5 (mM)