8BP7

Citrate-bound hexamer of Synechococcus elongatus citrate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976260
Spacegroup name	P 61 2 2
Unit cell lengths	170.460, 170.460, 545.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.390 - 2.710
R-factor	0.2315
Rwork	0.229
R-free	0.28020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8bei
RMSD bond length	0.009
RMSD bond angle	1.214
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.390	2.807
High resolution limit [Å]	2.710	2.710
Number of reflections	127720	12503
<I/σ(I)>	9.19	0.68
Completeness [%]	99.9
Redundancy	28.6
CC(1/2)	0.998	0.250

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M citrate pH 5.5, 2.0 M ammonium sulfate