6ULZ

Adenylation domain of the initiation module of LgrA mutant P483M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 41 21 2
Unit cell lengths	161.180, 161.180, 138.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	113.970 - 3.100
R-factor	0.2133
Rwork	0.211
R-free	0.24640
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5es6
RMSD bond length	0.003
RMSD bond angle	0.507
Data reduction software	DIALS
Data scaling software	Aimless
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	138.600	3.250
High resolution limit [Å]	3.100	3.100
Rpim	0.019	0.087
Number of reflections	33772	4403
<I/σ(I)>	24.3	7.6
Completeness [%]	100.0	99
Redundancy	25.6	26.5
CC(1/2)	0.996	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	2.37 M sodium formate, 0.112 M sodium acetate