3TV2

Structure of a class II fumarate hydratase from Burkholderia pseudomallei

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	2010-04-10
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97
Spacegroup name	P 64 2 2
Unit cell lengths	147.180, 147.180, 208.280
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.200 - 2.100
R-factor	0.15666
Rwork	0.156
R-free	0.17592
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yfe
RMSD bond length	0.011
RMSD bond angle	1.344
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	99.990		2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.071	0.017	0.509
Number of reflections	76331
<I/σ(I)>	22.66	76.54	3.72
Completeness [%]	97.9	86.7	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	0.2 M sodium citrate, 0.1 M Bis-Tris propane, pH 6.5, 20% PEG3350, protein 18.9 mg/mL, 25% ethylene glycol cryoprotectant, TargetDB ID: BupsA.00047.a.D13 PD00173, VAPOR DIFFUSION, HANGING DROP, temperature 289K