1NU5

Crystal structure of Pseudomonas sp. P51 Chloromuconate lactonizing enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	1999-04-27
Detector	MARRESEARCH
Wavelength(s)	0.99015
Spacegroup name	I 4 2 2
Unit cell lengths	135.355, 135.355, 105.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.950
R-factor	0.2
Rwork	0.200
R-free	0.23000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006 *
RMSD bond angle	1.256 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.060	0.171 *
Total number of observations	1063968 *
Number of reflections	35772
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2 *	277	PEG 400, Mangane chloride, hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	100 (mM)	pH7.5
2	1	reservoir		100 (mM)
3	1	reservoir	PEG400	12 (%(w/v))
4	1	drop	protein	10 (mg/ml)
5	1	drop	Tris	20 (mM)	pH7.2
6	1	drop		2 (mM)
7	1	drop	cis,cis-muconate	1 (mM)