8EJU

The crystal structure of Pseudomonas putida PcaR

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	2019-03-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	.925
Spacegroup name	P 62
Unit cell lengths	148.903, 148.903, 55.711
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.740 - 1.740
R-factor	0.1774
Rwork	0.176
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ia2
RMSD bond length	0.014
RMSD bond angle	1.402
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]	50.000	1.940
High resolution limit [Å]	1.740	1.900
Rmeas	0.107	0.664
Rpim	0.039	0.263
Number of reflections	87124	3679
<I/σ(I)>	34.3
Completeness [%]	99.8
Redundancy	7.7
CC(1/2)		0.825

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	298	1.8 M ammonium phosphate monobasic, 0.1 M sodium acetate, pH 4.6, 1% ethylene glycol, 2.5% 1-butyl-2,3-dimethylimidazolium tetrafluoroborate, soak with selenourea