6ABV

Crystal structure of citrate synthase (Msed_0281) from Metallosphaera sedula

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-09
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	61.711, 93.622, 130.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.110 - 1.800
R-factor	0.1848
Rwork	0.183
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gvm
RMSD bond length	0.021
RMSD bond angle	1.971
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.120	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.077	0.308
Number of reflections	34475	1703
<I/σ(I)>	45.7
Completeness [%]	98.0
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	35% v/v (+/-)-2-Methyl-2,4- pentandiol (MPD), 0.1 M Bis-Tris, pH 5.0, and 0.2 M ammonium acetate