8G97

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

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	2019-04-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	63.837, 93.928, 152.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.920 - 2.510
R-factor	0.1972
Rwork	0.194
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8g95
RMSD bond length	0.003
RMSD bond angle	0.600
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]	93.930	2.650
High resolution limit [Å]	2.510	2.510
Rmerge	0.092
Rpim	0.038
Number of reflections	31440	3069
<I/σ(I)>	15.04
Completeness [%]	98.3
Redundancy	6.7
CC(1/2)	0.999	0.506

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