5O41

Low-dose fixed target serial synchrotron crystallography structure of sperm whale myoglobin

Replaces:  5M3R

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	293
Detector technology	PIXEL
Collection date	2016-02-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	37.873, 46.876, 84.665
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.333 - 1.800
R-factor	0.2006
Rwork	0.195
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a6m
RMSD bond length	0.017
RMSD bond angle	1.324
Data reduction software	DIALS
Data scaling software	cctbx.prime
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.350	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.795	0.926
Number of reflections	14552
<I/σ(I)>	4.27	0.36
Completeness [%]	100.0	100
Redundancy	25.3	18.3
CC(1/2)	0.936	0.475

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES		293	Tris, HCl, ammonium sulfate, CO