9T6V

Low-dose (32.5 kGy) structure of horse-heart myoglobin at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	293
Detector technology	PIXEL
Collection date	2024-06-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	29.106, 35.825, 125.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.469 - 1.243
Rwork	0.146
R-free	0.16550
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.884
Data reduction software	XDS (BUILT 20230630)
Data scaling software	Aimless (0.7.15)
Phasing software	REFMAC (5.8.0430)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.317	1.264
High resolution limit [Å]	1.243	1.243
Rmerge	0.154	3.518
Rmeas	0.198	2.260
Rpim	0.055	0.645
Number of reflections	37631	1804
<I/σ(I)>	6.4	1
Completeness [%]	99.3
Redundancy	12.9	11.4
CC(1/2)	0.995	0.632

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	3.5 M ammonium sulphate, 0.1 M Tris-HCl pH 7.4