8B1J

DtpB-Nb132-SL

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	2020-02-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	54.489, 125.660, 168.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.830 - 2.670
R-factor	0.2237
Rwork	0.222
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs4
RMSD bond length	0.009
RMSD bond angle	1.141
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.830	2.765
High resolution limit [Å]	2.670	2.670
Number of reflections	61038	5161
<I/σ(I)>	12.66
Completeness [%]	96.7
Redundancy	2
CC(1/2)	1.000	0.350

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	100 mM HEPES pH 6.7, 30-40 % PEG 400 100-300 mM NaCl, 100-300 mM MgCl2, and 10 mM of SL