8EJV

The crystal structure of Pseudomonas putida PcaR in complex with succinate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-08-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	.925
Spacegroup name	P 62
Unit cell lengths	148.822, 148.822, 56.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.210 - 2.430
R-factor	0.2107
Rwork	0.208
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ia2
RMSD bond length	0.005
RMSD bond angle	0.813
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.210	2.540
High resolution limit [Å]	2.430	2.500
Rmeas	0.071	0.628
Rpim	0.022	0.193
Number of reflections	26706	1243
<I/σ(I)>	56.16
Completeness [%]	100.0
Redundancy	10.3
CC(1/2)	1.000	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Reservoir: 1.8 M ammonium phosphate monophosphate, 0.1 M succinic acid, pH 7, 1.25% w/v Benzyltriethylammonium chloride