1SGJ

Crystal structure of citrate lyase beta subunit

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-08
Detector	BRANDEIS - B4
Wavelength(s)	1.1
Spacegroup name	P 1
Unit cell lengths	57.610, 73.280, 74.480
Unit cell angles	68.26, 83.51, 68.38

Refinement procedure

Resolution	500.000 - 1.840
R-factor	0.2268
Rwork	0.227
R-free	0.24300
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.330
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.840	1.840
Rmerge	0.043	0.251
Number of reflections	82199
<I/σ(I)>	19
Completeness [%]	90.3	57.8
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PEG 8000, Sodium Cacodylate, Ammonium Sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PEG 8000, Sodium Cacodylate, Ammonium Sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PEG 8000, Sodium Cacodylate, Ammonium Sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	PEG 8000, Sodium Cacodylate, Ammonium Sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K