8B1K

DtpB-Nb132-NV

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	2022-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	54.138, 124.925, 165.773
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.140 - 2.800
R-factor	0.2272
Rwork	0.226
R-free	0.25040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs4
RMSD bond length	0.012
RMSD bond angle	1.518
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.140	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	53377	2811
<I/σ(I)>	12.01
Completeness [%]	99.8
Redundancy	2
CC(1/2)	1.000	0.367

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 NV