6JWK

Crystal structure of maleylpyruvate isomerase from Pseudomonas aeruginosa PAO1

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	2018-05-03
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 43 21 2
Unit cell lengths	83.022, 83.022, 184.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.780 - 1.860
R-factor	0.1947
Rwork	0.193
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fw1
RMSD bond length	0.012
RMSD bond angle	1.785
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.890
High resolution limit [Å]	1.860	5.050	1.860
Rmerge	0.068	0.049	0.305
Rmeas	0.070	0.050	0.330
Rpim	0.015	0.010	0.119
Total number of observations	824757
Number of reflections	53417	2991	2498
<I/σ(I)>	15.6
Completeness [%]	96.9	97.7	92.1
Redundancy	15.4	22.9	6
CC(1/2)		0.999	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, Lithium sulfate