4YBO

Structure of Citrate Synthase from the Thermoacidophilic Euryarchaeon Thermolasma acidophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	56.505, 113.406, 120.066
Unit cell angles	90.00, 95.08, 90.00

Refinement procedure

Resolution	29.148 - 2.179
R-factor	0.1655
Rwork	0.164
R-free	0.21180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ifc chain A
RMSD bond length	0.012
RMSD bond angle	1.139
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.899	2.270
High resolution limit [Å]	2.179	2.179
Rmerge	0.230
Number of reflections	76060
<I/σ(I)>	11.8	2.1
Completeness [%]	97.2	97
Redundancy	12.9	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	294	0.1 M CHES, 12% w/v PEG4000, 1 mM oxaloacetate