5XED

Heterodimer constructed from M61A PA cyt c551-HT cyt c552 and HT cyt c552-PA cyt c551 chimeric proteins

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-13
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	32.088, 65.912, 35.380
Unit cell angles	90.00, 103.72, 90.00

Refinement procedure

Resolution	34.370 - 1.550
R-factor	0.21016
Rwork	0.209
R-free	0.23758
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	351c 1ynr
RMSD bond length	0.020
RMSD bond angle	1.993
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.044	0.533
Number of reflections	21840	1164
<I/σ(I)>	16.6	2
Completeness [%]	99.5	96.3
Redundancy	3.3	3.1
CC(1/2)	0.998	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	100 mM MES containing 25% w/v PEG 6000