8B1D

DtpB-Nb132-APF

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	2020-07-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	54.759, 125.156, 169.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.580 - 2.300
R-factor	0.2313
Rwork	0.230
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs4
RMSD bond length	0.010
RMSD bond angle	1.317
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.580	2.382
High resolution limit [Å]	2.300	2.300
Number of reflections	100170	5217
<I/σ(I)>	13.91
Completeness [%]	99.9
Redundancy	2
CC(1/2)	1.000	0.609

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292.15	100 mM HEPES pH 7.0, 30-40 % PEG 400 100-300 mM NaCl, 200 mM Li2SO4 and 25 mM APF