1XME

Structure of Recombinant Cytochrome ba3 Oxidase from Thermus thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	114.902, 114.902, 177.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.420 - 2.300
R-factor	0.217
Rwork	0.217
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ehk
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.500	2.440
High resolution limit [Å]	2.300	2.300
Number of reflections	49399
Completeness [%]	95.0	95.9
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	297	Peg 2000, Bis-tris, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 297K