5UQS

Crystal structure of Citrate synthase from Sus scrofa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	58.575, 59.884, 74.761
Unit cell angles	99.60, 98.47, 117.53

Refinement procedure

Resolution	34.000 - 1.600
R-factor	0.15384
Rwork	0.153
R-free	0.17844
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3enj
RMSD bond length	0.013
RMSD bond angle	1.584
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.010	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.061	0.344
Rmeas	0.068	0.530
Rpim	0.046	0.359
Number of reflections	104042	5428
<I/σ(I)>	19.95	2.17
Completeness [%]	96.6	94.9
Redundancy	2.2	2.2
CC(1/2)		0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 NaTartrate pH 7.85, 20% PEG3350