6JVV

Crystal structure of maleylpyruvate hydrolase from Sphingobium.sp SYK-6

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	2018-05-31
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	67.089, 74.519, 67.967
Unit cell angles	90.00, 118.56, 90.00

Refinement procedure

Resolution	31.630 - 1.510
R-factor	0.1526
Rwork	0.151
R-free	0.17370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pfz
RMSD bond length	0.015
RMSD bond angle	1.934
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.054	0.039	0.350
Rmeas	0.058	0.043	0.398
Rpim	0.023	0.017	0.185
Total number of observations	562926
Number of reflections	91240	4672	2865
<I/σ(I)>	13
Completeness [%]	97.4	97.1	61.1
Redundancy	6.2	6.4	4
CC(1/2)		0.998	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG3350, Lithium sulfate