7D5X

Bovine heart cytochrome c oxidase in a catalytic intermediate, IO10, at 1.74 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	50
Detector technology	CCD
Collection date	2014-11-09
Detector	RAYONIX MX-225
Wavelength(s)	0.90
Spacegroup name	P 21 21 21
Unit cell lengths	181.767, 203.304, 177.566
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.699 - 1.740
R-factor	0.1573
Rwork	0.156
R-free	0.18360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b1a
RMSD bond length	0.020
RMSD bond angle	1.850
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	DM
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	137.000	1.760
High resolution limit [Å]	1.740	1.740
Rmerge	0.112
Rpim	0.033	0.362
Number of reflections	663784	16459
<I/σ(I)>	30.6	1.5
Completeness [%]	99.8
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.7	277	PEG 4000, Sodium Phosphate Buffer