8QWB

Crystal structure of citrate synthase from Methylophaga sulfidovorans

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	2020-08-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	155.690, 96.610, 203.100
Unit cell angles	90.00, 110.41, 90.00

Refinement procedure

Resolution	48.310 - 3.201
Rwork	0.282
R-free	0.32450
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2-3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.310	48.310	3.290
High resolution limit [Å]	3.200	14.320	3.200
Rmerge	0.131	0.043	2.499
Rmeas	0.142	0.047	2.709
Number of reflections	636593	1079	6755
<I/σ(I)>	10.29
Completeness [%]	98.9
Redundancy	6.9
CC(1/2)	0.998	0.998	0.431

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.0 M Lithium chloride, 0.1 M Citric Acid pH 5.0, 10% PEG 6000, 5mM oxaloacetic acid