9TMP

Crystal Structure of Native Cytochrome b562 in complex with the synthetic anti-BRIL antibody BAG2.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-05-14
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9537
Spacegroup name	P 65
Unit cell lengths	88.730, 88.730, 162.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.280 - 2.650
R-factor	0.209
Rwork	0.207
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.922
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.840	2.680
High resolution limit [Å]	2.640	2.640
Number of reflections	21369	1061
<I/σ(I)>	11.18
Completeness [%]	100.0
Redundancy	20.66
CC(1/2)	0.998	0.119

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M MOPS/HEPES-Na pH 7.5, 0.03M bromide, 0.03M fluoride, 0.03M imidazole, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD