2OZL

Human pyruvate dehydrogenase S264E variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-20
Wavelength(s)	1.200
Spacegroup name	P 21 21 21
Unit cell lengths	64.900, 126.400, 190.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.1861
Rwork	0.186
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ni4
RMSD bond length	0.006
RMSD bond angle	1.270
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.670
Rmerge	0.080
Number of reflections	106472
<I/σ(I)>	5.56
Completeness [%]	91.1
Redundancy	3.23

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	14-18% PEG3350, 100-200mM NaSCN, 5mM DTT, 0.1mM NaN3,, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K