6LTC

Crystal Structure of Nonribosomal peptide synthetases (NRPS), FmoA3 (S1046A)-alpha-methyl-L-serine-AMP bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2017-11-21
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1000
Spacegroup name	C 1 2 1
Unit cell lengths	164.206, 102.719, 137.412
Unit cell angles	90.00, 117.01, 90.00

Refinement procedure

Resolution	48.230 - 3.300
R-factor	0.222
Rwork	0.219
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6lta
RMSD bond length	0.010
RMSD bond angle	1.296
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.230	3.480
High resolution limit [Å]	3.300	3.300
Rmerge		1.011
Number of reflections	30791	4453
<I/σ(I)>	14.5
Completeness [%]	100.0
Redundancy	7.2
CC(1/2)	0.999	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1M HEPES pH 7.0, 0.5M Li2SO4, 10% PEG 8000