8B18

DtpB-Nb132-AF

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	2020-09-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	54.415, 125.074, 168.713
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.900 - 2.300
R-factor	0.2281
Rwork	0.227
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs4
RMSD bond length	0.010
RMSD bond angle	1.284
Data reduction software	XDS
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.900	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.090
Number of reflections	98829	5144
<I/σ(I)>	16.79
Completeness [%]	100.0
Redundancy	12.8
CC(1/2)	0.999	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292.15	100 mM HEPES pH 6.7, 30-40 % PEG 400 100-300 mM NaCl, 100-300 mM MgCl2, and 10 mM AF