7B5G

Crystal structure of E.coli LexA in complex with nanobody NbSOS3(Nb14527)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-10
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.979499
Spacegroup name	P 1
Unit cell lengths	49.067, 57.081, 122.506
Unit cell angles	84.53, 83.21, 68.43

Refinement procedure

Resolution	49.610 - 2.400
Rwork	0.206
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jhf
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.060	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.084	0.730
Number of reflections	47061	4685
<I/σ(I)>	5.9	1
Completeness [%]	98.2
Redundancy	2.4
CC(1/2)	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	293	0.15 M sodium chloride, 0.05 M HEPES, 24 % w/v PEG3350