7DDR

Ancestral myoglobin aMbSp of Puijila Darwini relative (imidazol ligand)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-11
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	28.020, 62.720, 65.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.1662
Rwork	0.164
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yce
RMSD bond length	0.014
RMSD bond angle	1.302
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX (1.17rc5_3630)
Refinement software	PHENIX (1.17rc5_3630)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.010	0.040
Number of reflections	19228	2752
<I/σ(I)>	18.3
Completeness [%]	99.9
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M MIB buffer pH 5, 25% w/v PEG 1500