2NU7

C123aS 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	2002-06-14
Detector	ADSC QUANTUM 4
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	23.450 - 2.200
R-factor	0.206
Rwork	0.201
R-free	0.24400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2scu
RMSD bond length	0.018
RMSD bond angle	2.000
Data reduction software	d*TREK
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.110	0.334
Number of reflections	88752
<I/σ(I)>	10.9	1.2
Completeness [%]	89.9	64.8
Redundancy	3.1	1.3

Crystallization Conditions

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