8ZXR

Crystal structure of Ssr1698 in complex with heme c

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 63 2 2
Unit cell lengths	83.597, 83.597, 69.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.200 - 1.600
R-factor	0.1873
Rwork	0.186
R-free	0.21770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.297
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.197
Rpim	0.052
Number of reflections	19377	1882
<I/σ(I)>	18.4
Completeness [%]	99.9	100
Redundancy	15.6	15.3
CC(1/2)	0.985	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	Sodium acetate, Sodium formate, Glycerol