4TQT

Crystal structure of Dihydropyrimidinase from Brucella suis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-29
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	156.690, 88.830, 221.240
Unit cell angles	90.00, 91.17, 90.00

Refinement procedure

Resolution	44.239 - 2.150
R-factor	0.1372
Rwork	0.135
R-free	0.18180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dc8
RMSD bond length	0.007
RMSD bond angle	1.041
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1702))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.065	0.020	0.541
Rmeas	0.073	0.023	0.610
Total number of observations	767858
Number of reflections	165022	1914	12172
<I/σ(I)>	16.38	45.06	2.99
Completeness [%]	99.9	97.3	100
Redundancy	4.65		4.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	Microlytics MCSG 1 screen, B6: 20% PEG 8000, 100mM MES pH 6.5, 200mM CaOAc2; cryo: 25% EG; BrsuA.01123.b.B1.PS01876 at 19.16mg/ml, tray 247701b6, puck dbd6-4