6CPB

Crystal structure of the heme domain of CooA from Carboxydothermus hydrogenoformans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	64.665, 65.820, 72.885
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.978 - 1.155
R-factor	0.1299
Rwork	0.129
R-free	0.14690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k8f
RMSD bond length	0.007
RMSD bond angle	0.913
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.880	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.050	0.500
Number of reflections	109455	5388
<I/σ(I)>	14	2.7
Completeness [%]	100.0	99.2
Redundancy	6.8	6
CC(1/2)	0.990	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	2 M ammonium sulfate, 100 mM Tris, pH 8.0