7Y44

Re-refinement of damage free X-ray structure of bovine cytochrome c oxidase at 1.9 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-21
Detector	RIGAKU SATURN A200
Wavelength(s)	1.241
Spacegroup name	P 21 21 21
Unit cell lengths	182.600, 204.510, 178.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.312 - 1.900
R-factor	0.1875
Rwork	0.185
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dyr
RMSD bond length	0.018
RMSD bond angle	1.691
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.330	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.243	0.408
Rpim	0.137	0.232
Number of reflections	500669	71920
<I/σ(I)>	6.7	2.1
Completeness [%]	96.2	95.1
Redundancy	3.8	3.6
CC(1/2)	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.7	277	40mM sodium phosphate buffer, 0.2% decylmaltoside, 1% PEG 4000, 2% ethylene glycol