8G95

Adenylation domain structure from NRPS-like Delta-Poly-L-Ornithine synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	110
Detector technology	PIXEL
Collection date	2018-02-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	64.363, 94.104, 152.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.180 - 2.200
R-factor	0.2079
Rwork	0.207
R-free	0.22630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.557
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]	80.150	2.273
High resolution limit [Å]	2.195	2.195
Rmerge	0.125	1.320
Rpim	0.037	0.380
Number of reflections	48260	4757
<I/σ(I)>	12.58	2.29
Completeness [%]	99.8
Redundancy	12.6
CC(1/2)	0.997	0.860

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