6VU2

M1214_N1 Fab structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-11
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.920103
Spacegroup name	P 1 21 1
Unit cell lengths	50.692, 66.888, 70.176
Unit cell angles	90.00, 108.70, 90.00

Refinement procedure

Resolution	29.350 - 2.190
R-factor	0.1787
Rwork	0.177
R-free	0.21590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tsc
RMSD bond length	0.007
RMSD bond angle	0.868
Data reduction software	XDS (1.16_3549)
Data scaling software	XDS (1.16_3549)
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.350	2.270
High resolution limit [Å]	2.190	2.190
Rmerge	0.059	0.407
Rmeas	0.075	0.525
Rpim	0.045	0.326
Number of reflections	21766	1621
<I/σ(I)>	10.6	1.91
Completeness [%]	95.2	72
Redundancy	2.4	1.8
CC(1/2)	0.996	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	28% PEG8000, 1.6M calcium acetate and 20% glycerol