8B1E

DtpB-Nb132-AQ

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	2019-09-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	54.467, 125.385, 168.177
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.690 - 2.470
R-factor	0.225
Rwork	0.223
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs4
RMSD bond length	0.009
RMSD bond angle	1.271
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.690	2.558
High resolution limit [Å]	2.470	2.470
Number of reflections	42134	5217
<I/σ(I)>	14.56
Completeness [%]	99.7
Redundancy	2
CC(1/2)	0.998	0.640

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 AQ