7E3U

Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-AU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	298
Detector technology	CCD
Collection date	2020-12-17
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	P 31 2 1
Unit cell lengths	112.667, 112.667, 161.432
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.012 - 2.159
R-factor	0.1885
Rwork	0.186
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e5c
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.240
High resolution limit [Å]	2.159	2.159
Rmerge	0.066
Number of reflections	64183	6340
<I/σ(I)>	3.1	23.7
Completeness [%]	99.9	99.9
Redundancy	4.9	4.9
CC(1/2)		0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	16%PEG8000, 100mM HEPES pH7.5, 200mM Calcium Acetate