3MBQ

Crystal structure of deoxyuridine 5-triphosphate nucleotidohydrolase from Brucella melitensis, orthorhombic crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-19
Detector	ADSC QUANTUM 210r
Spacegroup name	P 21 21 21
Unit cell lengths	50.560, 95.890, 100.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.940 - 2.100
R-factor	0.169
Rwork	0.166
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dup modified with ccp4 program chainsaw
RMSD bond length	0.015
RMSD bond angle	1.464
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.109	0.524
Number of reflections	29269
<I/σ(I)>	19.54	4.7
Completeness [%]	100.0	100
Redundancy	8.9	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	HR CRYSTAL HT SCREEN, E5: 2M AMMONIUM SUPHATE, 5% ISO-PROPANOL, BRABA.10050.A AT 9.7MG/ML, pH 8.50, VAPOR DIFFUSION, SITTING DROP, temperature 290K