7A44

CO-bound sperm whale myoglobin measured by serial synchrotron crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	293
Detector technology	PIXEL
Collection date	2016-02-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	.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	0.1768
Rwork	0.173
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jom
RMSD bond length	0.016
RMSD bond angle	1.325
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	15863	1492
<I/σ(I)>	5.54
Completeness [%]	99.5
Redundancy	114.79
CC(1/2)	0.973	0.500

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