4DYW

Crystal structure of MutT NUDIX hydrolase from Burkholderia pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976484
Spacegroup name	P 43 21 2
Unit cell lengths	78.040, 78.040, 113.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.2099
Rwork	0.208
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hhj
RMSD bond length	0.011
RMSD bond angle	1.421
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.570
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.060	0.017	0.576
Number of reflections	12669	141	930
<I/σ(I)>	24.52	69.6	4.08
Completeness [%]	99.3	78.3	99.7
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	BupsA.00264.a.A1 PS01261 at 27 mg/mL against 0.2 M NaK Tartrate, 30% PEG 3350 PACT E9 focus screen with 20% ethylene glycol as cro-protectant, crystal tracking ID 230892e11, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K