7EAD

Crystal structure of beta-sheet cytochrome c prime from Thermus thermophilus.

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	2019-07-17
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.0000
Spacegroup name	C 2 2 21
Unit cell lengths	38.830, 81.225, 82.305
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.420 - 1.740
R-factor	0.1894
Rwork	0.187
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6hih
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHENIX (1.19.1)
Refinement software	PHENIX (1.19.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.150	41.150	1.770
High resolution limit [Å]	1.740	9.040	1.740
Rmerge	0.197	0.053	1.314
Total number of observations	178741	1136	10014
Number of reflections	13755	123	739
<I/σ(I)>	11.3	35.7	2.1
Completeness [%]	100.0	99.2	100
Redundancy	13	9.2	13.6
CC(1/2)	0.998	0.998	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1 M 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid buffer (pH 7.5) and 20% (w/v) polyethylene glycol 10,000