8G98

Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase (L-Lysine bound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	110
Detector technology	PIXEL
Collection date	2019-03-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03322
Spacegroup name	P 21 21 21
Unit cell lengths	63.480, 91.978, 152.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.640 - 2.490
R-factor	0.1984
Rwork	0.195
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8g95
RMSD bond length	0.008
RMSD bond angle	0.966
Data reduction software	AutoProcess
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.640	2.570
High resolution limit [Å]	2.490	2.490
Rmerge	0.127
Rpim	0.037
Number of reflections	31880	3069
<I/σ(I)>	15.54
Completeness [%]	99.5
Redundancy	12.8
CC(1/2)	0.999	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7	293.15	0.1 M Amm Bromide, 0.1 M BTP pH 7.0, 24% PEG 20K