1Q5N

Crystal Structure of beta-carboxy-cis,cis-muconate cycloisomerase (CMLE) from Acinetobacter calcoaceticus sp. ADP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	293
Detector technology	CCD
Collection date	2002-06-03
Detector	MARRESEARCH
Wavelength(s)	0.979
Spacegroup name	I 41 2 2
Unit cell lengths	159.220, 159.220, 93.969
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.16
Rwork	0.160
R-free	0.19500
Structure solution method	SIR
RMSD bond length	0.018
RMSD bond angle	1.727
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.054	0.212
Number of reflections	26787
<I/σ(I)>	33.6
Completeness [%]	98.7	98.3
Redundancy	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapour Diffusion Under Oil	5.75	293	Peg 6000, LiCl, Sodium Citrate, pH 5.75, Vapour Diffusion Under Oil, temperature 293K