7A45

CO-bound sperm whale myoglobin measured by serial femtosecond crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	293
Detector technology	CCD
Collection date	2016-04-14
Detector	MPCCD
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	37.900, 47.900, 83.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.470 - 1.750
R-factor	0.1724
Rwork	0.168
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jom
RMSD bond length	0.016
RMSD bond angle	1.337
Data reduction software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.470	1.813
High resolution limit [Å]	1.750	1.750
Number of reflections	15891	1520
<I/σ(I)>	5.65
Completeness [%]	99.7
Redundancy	134.4
CC(1/2)	0.974	0.405

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	10 mM Tris-HCl, pH 9.0, 2.2-2.5 M ammonium sulfate