8FB0

H64Q Myoglobin in complex with acetamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-23
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.5418
Spacegroup name	P 6
Unit cell lengths	90.288, 90.288, 45.255
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.260 - 1.760
R-factor	0.1648
Rwork	0.163
R-free	0.19370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2mbw
RMSD bond length	0.007
RMSD bond angle	0.912
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.260	1.823
High resolution limit [Å]	1.760	1.760
Rmerge	0.060	0.224
Number of reflections	21044	2046
<I/σ(I)>	34.32
Completeness [%]	99.8	98.32
Redundancy	1.1
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	2.56-2.76 M ammonium sulfate, 100 mM Tris-HCl, 1 mM EDTA, pH 7.4 or 9.0