7YLK

Myoglobin containing Ir complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97935
Spacegroup name	P 21 21 21
Unit cell lengths	33.402, 57.882, 76.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.580 - 1.630
R-factor	0.1936
Rwork	0.192
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vxa
RMSD bond length	0.006
RMSD bond angle	0.972
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.580	1.660
High resolution limit [Å]	1.630	1.630
Number of reflections	19134	1768
<I/σ(I)>	63.6
Completeness [%]	99.7
Redundancy	14
CC(1/2)		0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	3.15 M (NH4)2SO4, 100 mM Tris-HCl (pH 7.5)