28OD

Crystal structure of C35 bound to Hem

This is a non-PDB format compatible entry.

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	2026-01-30
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 32 2 1
Unit cell lengths	92.167, 92.167, 142.979
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.660 - 1.730
R-factor	0.17013
Rwork	0.169
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.777
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.660	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.079	1.332
Rmeas	0.081	1.367
Rpim	0.018	0.303
Total number of observations	1474983	80482
Number of reflections	73941	3989
<I/σ(I)>	21.1	2.1
Completeness [%]	100.0
Redundancy	19.9	20.2
CC(1/2)	1.000	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	3.0 M Ammonium sulfate; 1% (wv) MPD