9T6Y

Low-dose (14.4 kGy) structure of horse-heart myoglobin at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM07
Synchrotron site	ESRF
Beamline	BM07
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	28.471, 35.084, 123.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.741 - 1.030
Rwork	0.170
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.897
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]	26.657	1.111
High resolution limit [Å]	1.030	1.030
Rmerge	0.154	3.823
Rmeas	0.177	2.643
Rpim	0.069	1.027
Number of reflections	333967	16440
<I/σ(I)>	5.6	0.7
Completeness [%]	99.8	99.5
Redundancy	6.4	6.4
CC(1/2)	0.997	0.379

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