1JOF

Neurospora crassa 3-carboxy-cis,cis-mucoante lactonizing enzyme

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	1998-12-15
Detector	MARRESEARCH
Wavelength(s)	0.9137, 0.9786, 0.9795, 0.8856
Spacegroup name	P 21 21 21
Unit cell lengths	92.290, 160.600, 237.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.214 *
Rwork	0.212
R-free	0.25100
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.050 *	0.156 *
Number of reflections	122302
Completeness [%]	92.7	75.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	277	PIPES, Ammonium suplhate, beta-mercapto-ethanol, pH 5.7, VAPOR DIFFUSION, SITTING DROP at 277K
1	VAPOR DIFFUSION, SITTING DROP	5.7	277	PIPES, Ammonium suplhate, beta-mercapto-ethanol, pH 5.7, VAPOR DIFFUSION, SITTING DROP at 277K