7DDS

Ancestral myoglobin aMbSp of Puijila Darwini relative

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	29.310, 58.020, 80.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
R-factor	0.1776
Rwork	0.173
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yce
RMSD bond length	0.015
RMSD bond angle	1.333
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	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.024	0.037
Number of reflections	6494	930
<I/σ(I)>	10.9
Completeness [%]	99.7
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.6M tri-Sodium citrate