6TR1

Native cytochrome c6 from Thermosynechococcus elongatus in space group H3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97626
Spacegroup name	H 3
Unit cell lengths	94.800, 94.800, 160.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.530 - 1.700
R-factor	0.1868
Rwork	0.186
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eic
RMSD bond length	0.032
RMSD bond angle	2.804
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	73.065	36.533	1.250
High resolution limit [Å]	1.189	3.760	1.190
Rmerge		0.044	1.555
Rmeas	0.120	0.052	1.873
Rpim	0.064	0.027	1.026
Total number of observations	524507	17494	76258
Number of reflections	170023	5287	24951
<I/σ(I)>	4.7	21.8	0.8
Completeness [%]	98.5	96.9	98.7
Redundancy	3.1	3.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	278	Ammonium sulfate, potassium nitrate