1HZZ

THE ASYMMETRIC COMPLEX OF THE TWO NUCLEOTIDE-BINDING COMPONENTS (DI, DIII) OF PROTON-TRANSLOCATING TRANSHYDROGENASE

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-04-09
Detector	MARRESEARCH
Wavelength(s)	0.97243
Spacegroup name	P 21 21 21
Unit cell lengths	71.479, 74.166, 205.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.960 - 2.500
R-factor	0.261 *
Rwork	0.261
R-free	0.29700
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.064	0.450
Total number of observations	135437 *
Number of reflections	36218 *	4879 *
<I/σ(I)>	8.4	1.6
Completeness [%]	94.1	88.1
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	PEG-8K, ammonium sulphate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MES	100 (mM)
2	1	reservoir	PEG8000	14-17 (%)
3	1	reservoir	ammonium sulfate	100-200 (mM)