6PW1

Cytochrome c Oxidase delta 16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	123.315, 130.000, 177.539
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.960 - 2.100
R-factor	0.1804
Rwork	0.180
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gsm
RMSD bond length	0.008
RMSD bond angle	1.308
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.066	0.031	0.599
Total number of observations	1213258
Number of reflections	165884	17206	15881
<I/σ(I)>	12.2
Completeness [%]	99.6	99.5	96.5
Redundancy	7.3	7.3	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	289	100 mM MES, pH 6.3, 26-30 % PEG-400 and 2.5 % heptanetriol, 16mM MgCl2, 0.65 mM CdCl2 and 0.013 % Dodecyl maltoside