5WJK

2.0-Angstrom In situ Mylar structure of sperm whale myoglobin (SWMb) at 293 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	293
Detector technology	PIXEL
Collection date	2016-03-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 6
Unit cell lengths	91.670, 91.670, 46.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.835 - 2.000
R-factor	0.2263
Rwork	0.224
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e55
RMSD bond length	0.009
RMSD bond angle	1.197
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	45.840
High resolution limit [Å]	2.000
Number of reflections	14446
<I/σ(I)>	3.26
Completeness [%]	95.0
Redundancy	1.8
CC(1/2)	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	9	293	10 mM Tris-HCl, 2.5 to 2.6 M (NH4)2SO4, 1 atm CO gas, seed solution in 10 mM Tris-HCl pH 9.0 and 3.2 M (NH4)2SO4