3C8T

Crystal structure of fumarate lyase from Mesorhizobium sp. BNC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-09
Detector	MAR CCD 165 mm
Wavelength(s)	0.97958
Spacegroup name	P 42 21 2
Unit cell lengths	107.006, 107.006, 74.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.204
Rwork	0.201
R-free	0.26200
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.515
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXCD
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.832	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.180	0.506
Number of reflections	22568
<I/σ(I)>	8	2.7
Completeness [%]	100.0	100
Redundancy	8	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	294	100mM Hepes pH 7.5, 5% MPD, 10% PEG 6000, VAPOR DIFFUSION, temperature 294K