6KFM

Amino-transferase (AMT) Domain of Hybrid Polyketide/Non-Ribosomal Peptide Synthetase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	81.534, 89.492, 136.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.230 - 1.700
R-factor	0.1982
Rwork	0.198
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hdm
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13-2988)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rmeas	0.111	0.811
Rpim	0.030	0.231
Number of reflections	110351	5395
<I/σ(I)>	27.2	3
Completeness [%]	99.9	98.8
Redundancy	13	11.4
CC(1/2)	0.993	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	312	10 mM MgCl2, 5 mM NiCl, 0.1 M HEPES, pH 6.7, 18% (v/v) PEG 3350