6N02

CO-bound Sperm Whale Myoglobin, room temperature structure, first 2 degrees of 5 degree total oscillation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	298
Detector technology	PIXEL
Collection date	2018-03-04
Detector	DECTRIS EIGER X 1M
Wavelength(s)	1.216
Spacegroup name	P 21 21 21
Unit cell lengths	37.030, 45.900, 82.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.455 - 2.000
R-factor	0.2019
Rwork	0.198
R-free	0.28250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vxa
RMSD bond length	0.008
RMSD bond angle	0.969
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.455	2.071
High resolution limit [Å]	2.000	2.000
Rmeas	0.347	9.030
Rpim	0.082	2.195
Number of reflections	10029	989
<I/σ(I)>	8.66	0.9
Completeness [%]	99.8	99.7
Redundancy	17.2	16.5
CC(1/2)	0.992	0.153

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		295	10 mM Tris HCl pH 9.0 and 3.2 M ammonium sulfate