6J5Y

Crystal structure of fumarylpyruvate hydrolase from Pseudomonas aeruginosa in complex with Mn2+ and pyruvate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-04
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	58.090, 61.029, 104.646
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.810 - 1.980
R-factor	0.1864
Rwork	0.184
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4maq
RMSD bond length	0.008
RMSD bond angle	1.510
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.330	2.010
High resolution limit [Å]	1.975	1.980
Rpim	0.039	0.191
Number of reflections	13405	1101
<I/σ(I)>	31.877
Completeness [%]	94.7
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	PEG300, Sodium acetate, Sodium chloride