8B1C

DtpB-Nb132-ALA

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	2020-04-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 2 21 21
Unit cell lengths	54.396, 123.541, 169.331
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.790 - 2.560
R-factor	0.2163
Rwork	0.215
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gs4
RMSD bond length	0.011
RMSD bond angle	1.397
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.790	2.651
High resolution limit [Å]	2.560	2.560
Number of reflections	70999	3699
<I/σ(I)>	16.74
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.999	0.694

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		292.15	100 mM Hepes pH 6.7, 30-40 % PEG 400 100-300 mM NaCl, 100-300 mM MgCl2, 10 mM ALA