6Q9V

MSRB3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-07
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	44.025, 65.183, 112.777
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.435 - 1.850
R-factor	0.1842
Rwork	0.182
R-free	0.22560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qa0
Data reduction software	xia2
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]	56.435	56.435	1.880
High resolution limit [Å]	1.850	5.020	1.850
Rmeas	0.275	0.120	1.620
Rpim	0.105	0.047	0.603
Total number of observations	192229	10166	9749
Number of reflections	28505	1584	1385
<I/σ(I)>	4.9	9.6	1.4
Completeness [%]	99.8	99.9	97.9
Redundancy	6.7	6.4	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200mM NaCl, 100mM Cacodylate pH 7.4, 1.6M Ammonium Sulfate, 10% 2-Methyl-2,4-pentanediol