6JVW

Crystal structure of maleylpyruvate hydrolase from Sphingobium sp. SYK-6 in complex with manganese (II) ion 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	2018-06-20
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97935
Spacegroup name	P 1 21 1
Unit cell lengths	68.409, 74.181, 68.727
Unit cell angles	90.00, 119.07, 90.00

Refinement procedure

Resolution	31.580 - 2.250
R-factor	0.1559
Rwork	0.153
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jvv
RMSD bond length	0.009
RMSD bond angle	1.619
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.064	0.233
Rmeas	0.077	0.286
Rpim	0.041	0.163
Total number of observations	84215
Number of reflections	27826	1358
<I/σ(I)>	15.8
Completeness [%]	97.5	95.9
Redundancy	3	2.6
CC(1/2)		0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		273	PEG 3350, Lithium sulfate