1KEK

Crystal Structure of the Free Radical Intermediate of Pyruvate:Ferredoxin Oxidoreductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-12-07
Detector	MARRESEARCH
Wavelength(s)	1.005
Spacegroup name	P 21 21 21
Unit cell lengths	86.110, 145.760, 210.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.870 *
R-factor	0.183 *
Rwork	0.178
R-free	0.23800 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001 *
RMSD bond angle	1.900 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.380	1.970
High resolution limit [Å]	1.870 *	1.870
Rmerge	0.084 *	0.293 *
Number of reflections	216598
<I/σ(I)>		1.4
Completeness [%]	94.4	97.3
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	Chabriere, E., (1999) Nat.Struct.Biol., 6, 182. *