8G96

Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase (L-Ornithine 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	63.975, 92.785, 152.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.290 - 2.300
R-factor	0.2077
Rwork	0.206
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8g95
RMSD bond length	0.004
RMSD bond angle	0.789
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]	79.290	2.370
High resolution limit [Å]	2.300	2.300
Rmerge	0.140
Rpim	0.041	0.964
Number of reflections	39481	4052
<I/σ(I)>	13.35
Completeness [%]	95.4
Redundancy	12.8
CC(1/2)	0.999	0.416

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