4MAQ

Crystal Structure of a putative fumarylpyruvate hydrolase from Burkholderia cenocepacia

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	2013-07-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	51.170, 51.630, 186.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.850 - 1.400
R-factor	0.134
Rwork	0.132
R-free	0.16780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nr9
RMSD bond length	0.009
RMSD bond angle	1.380
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		1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.070	0.030	0.478
Number of reflections	97601	1157	7141
<I/σ(I)>	15.52	33.96	2.83
Completeness [%]	99.2	92.3	99.9
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	JCSG+(h8): 25% PEG-3350, 0.1M BisTris/HCl, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K