8B17

DtpB-Nb132-AWA

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	2020-11-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 2 21 21
Unit cell lengths	54.598, 125.359, 168.823
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.410 - 2.500
R-factor	0.2362
Rwork	0.234
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs4
RMSD bond length	0.011
RMSD bond angle	1.287
Data reduction software	autoPROC
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.410	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.021	0.496
Number of reflections	40497	4037
<I/σ(I)>	14.29
Completeness [%]	100.0
Redundancy	2
CC(1/2)	1.000	0.643

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, 10 mM AWA