8B19

DtpB-Nb132-AFA

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	2020-09-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	54.696, 125.509, 169.715
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.300 - 2.450
R-factor	0.2263
Rwork	0.224
R-free	0.26750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs4
RMSD bond length	0.010
RMSD bond angle	1.296
Data reduction software	XDS
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.300	2.538
High resolution limit [Å]	2.450	2.450
Number of reflections	82900	4296
<I/σ(I)>	16.45
Completeness [%]	99.9
Redundancy	13.2
CC(1/2)	1.000	0.522

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 10 mM AFA