3OCF

Crystal structure of fumarate lyase:delta crystallin from Brucella melitensis in native form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	86.230, 86.460, 105.160
Unit cell angles	90.00, 91.91, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.174
Rwork	0.171
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oce
RMSD bond length	0.016
RMSD bond angle	1.464
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]	50.000		2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.086	0.025	0.528
Number of reflections	89781	935	6522
<I/σ(I)>	12.65	42.4	2
Completeness [%]	99.5	87.5	98.3
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	86.6 mg/mL of BrabA.00047.a.A5 PS00511 full lenght tag against JCSG+ condition A9, 0.2 M ammonium chloride, 20% PEG 3350 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 215952a9, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K