2NU8

C123aT Mutant of E. coli Succinyl-CoA Synthetase

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	2002-03-04
Detector	ADSC QUANTUM 4
Spacegroup name	P 43 2 2
Unit cell lengths	96.690, 96.690, 385.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.970 - 2.150
R-factor	0.215
Rwork	0.210
R-free	0.25500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1jkj
RMSD bond length	0.017
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.190
High resolution limit [Å]	2.150	2.150
Rmerge	0.140	0.186
Number of reflections	94811
<I/σ(I)>	7.7	1.2
Completeness [%]	89.9	51.7
Redundancy	3.2	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	294	BICINE, Ammonium sulfate, pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 294K