6AJD

Crystal structure of a monometallic dihydropyrimidinase from Pseudomonas aeruginosa PAO1 reveals no lysine carbamylation within the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	298
Detector technology	CCD
Collection date	2017-07-11
Detector	RAYONIX MX300HE
Wavelength(s)	0.975
Spacegroup name	P 21 21 2
Unit cell lengths	88.375, 110.169, 112.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.277 - 2.223
R-factor	0.1844
Rwork	0.182
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5e5c
RMSD bond length	0.008
RMSD bond angle	0.980
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.310
High resolution limit [Å]	2.223	2.223
Rmerge	0.133	0.491
Number of reflections	54478	5383
<I/σ(I)>	3.9	12.9
Completeness [%]	99.8	99.9
Redundancy	5.1	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	25%PEG4000, 100mM Tris-HCl pH8.5, 200mM Calcium Chloride