8B1G

DtpB-Nb132-AW

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	2020-05-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	54.614, 126.408, 168.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.970 - 2.500
R-factor	0.2263
Rwork	0.225
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs4
RMSD bond length	0.010
RMSD bond angle	1.338
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.970	2.589
High resolution limit [Å]	2.500	2.500
Number of reflections	77038	4000
<I/σ(I)>	12.36
Completeness [%]	99.2
Redundancy	2
CC(1/2)	1.000	0.432

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292	100 mM HEPES pH 7.0, 30-40 % PEG 400 100-300 mM NaCl, 200 mM Li2SO4 and 10 mM AW