6ZU0

Crystal structure of citrate synthase (GltA) from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-26
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	216.746, 80.177, 196.659
Unit cell angles	90.00, 121.89, 90.00

Refinement procedure

Resolution	83.489 - 3.397
R-factor	0.239
Rwork	0.238
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e6y
RMSD bond length	0.007
RMSD bond angle	1.307
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	83.489	83.460	3.490
High resolution limit [Å]	3.390	15.210	3.400
Rmerge	0.193	0.073	1.021
Rmeas	0.219	0.086	1.157
Rpim	0.102	0.043	0.536
Number of reflections	39887	490	2941
<I/σ(I)>	4.7	12.9	1.3
Completeness [%]	100.0	99.4	99.9
Redundancy	4.4	3.8	4.5
CC(1/2)	0.988	0.986	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.1 M HEPES pH 7.5, 2% PEG400, 2 M ammonium sulphate