1IK6

3D structure of the E1beta subunit of pyruvate dehydrogenase from the archeon Pyrobaculum aerophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	95
Detector technology	CCD
Collection date	1999-10-14
Detector	ADSC QUANTUM 4
Wavelength(s)	1.072
Spacegroup name	I 2 2 2
Unit cell lengths	65.241, 84.543, 131.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.212 *
Rwork	0.212
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB 1QS0 Beta-chain
RMSD bond length	0.013
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.082	0.257
Number of reflections	22189
<I/σ(I)>	22
Completeness [%]	89.4	96
Redundancy	5.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	18 *	Peg 400, Calcium Chloride, Sodium Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	27 (mg/ml)
2	1	reservoir		0.2 (M)
3	1	reservoir	sodium HEPES	0.1 (M)	pH7.5
4	1	reservoir	PEG400	28 (%(w/v))