6MV0

CO-bound Sperm Whale Myoglobin, room temperature structure solved by serial 5degree oscillation crystallography

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)	1.2155
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	40.160 - 1.970
R-factor	0.2019
Rwork	0.199
R-free	0.27150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vxa
RMSD bond length	0.009
RMSD bond angle	1.240
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]	40.160	2.040
High resolution limit [Å]	1.970	1.970
Rmeas	0.254	0.165
Number of reflections	10477	1006
<I/σ(I)>	10.93
Completeness [%]	99.8
Redundancy	22.6
CC(1/2)	0.994	0.181

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	9	298	10 mM Tris-HCl pH 9.0 and 3.2 M ammonium sulfate and washed two to three times with the same solution (CO saturated)