8B1F

DtpB-Nb132-AV

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	2020-01-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	54.648, 126.166, 168.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.470 - 2.350
R-factor	0.2177
Rwork	0.217
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs4
RMSD bond length	0.008
RMSD bond angle	1.105
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.470	2.434
High resolution limit [Å]	2.350	2.350
Number of reflections	93940	4863
<I/σ(I)>	15.18
Completeness [%]	99.9
Redundancy	13.1
CC(1/2)	0.991	0.285

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 AV