4FQ5

Crystal structure of the maleate isomerase Iso(C200A) from Pseudomonas putida S16 with maleate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-01
Wavelength(s)	1.000
Spacegroup name	P 61 2 2
Unit cell lengths	66.725, 66.725, 421.606
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.2059
Rwork	0.204
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.240
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.081	0.044	0.406
Number of reflections	33942
<I/σ(I)>	11.4
Completeness [%]	99.1	98.8	98.7
Redundancy	28.2	24.8	29.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	287	25% PEG 3350, 0.1M Tris, pH 8.5, vapor diffusion, hanging drop, temperature 287K