6Y0E

Nbe LBM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0032
Spacegroup name	P 21 21 21
Unit cell lengths	44.477, 50.612, 93.528
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.764 - 1.500
R-factor	0.1618
Rwork	0.161
R-free	0.18030
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	SHELXDE
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.610	50.610	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.080	0.037	0.952
Rmeas	0.083	0.039	0.993
Rpim	0.023	0.011	0.279
Total number of observations	443937	2945	20089
Number of reflections	34335	271	1644
<I/σ(I)>	22.1	67.2	2.8
Completeness [%]	99.3	99.9	98.1
Redundancy	12.9	10.9	12.2
CC(1/2)	0.999	0.999	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	30 %(w/v) PEG 1500