6QA0

MSRB3 - AA 1-137

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-29
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 2
Unit cell lengths	81.149, 85.713, 49.167
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.649 - 1.709
R-factor	0.1761
Rwork	0.174
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cez
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.860	42.870	1.740
High resolution limit [Å]	1.710	4.640	1.710
Rmeas	0.084	0.037	1.407
Rpim	0.041	0.018	0.674
Total number of observations	159023	8458	7732
Number of reflections	37570	2071	1767
<I/σ(I)>	11.3	30.3	1.4
Completeness [%]	99.2	100	94.5
Redundancy	4.2	4.1	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200mM NaCl, 100mM Sodium Cacodylate pH 7.4, 1.6M Ammonium Sulfate, 20% Glycerol