7WEW

Structure of adenylation domain of epsilon-poly-L-lysine synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	93
Detector technology	PIXEL
Collection date	2019-01-22
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	P 3 2 1
Unit cell lengths	152.511, 152.511, 48.202
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.280 - 2.300
R-factor	0.1887
Rwork	0.187
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vnq
RMSD bond length	0.008
RMSD bond angle	0.968
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.280	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.224	1.275
Rmeas	0.239	1.366
Rpim	0.083	0.481
Number of reflections	28719	2791
<I/σ(I)>	5.9
Completeness [%]	99.6	100
Redundancy	8.2	8
CC(1/2)	0.984	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.2 M potassium sodium tartrate 0.1 M trisodium citrate 1.8 M ammonium sulfate