7K09

Puromycin N-acetyltransferase in complex with acetyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 2
Unit cell lengths	149.074, 73.630, 106.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	106.240 - 2.313
R-factor	0.2371
Rwork	0.236
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qec
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MR-Rosetta
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.242	2.589
High resolution limit [Å]	2.361	2.361
Rmerge	0.502
Rmeas	0.517
Rpim	0.125	0.795
Number of reflections	27792	1192
<I/σ(I)>	7.7	1.5
Completeness [%]	93.1	67
Redundancy	16.9	15.8
CC(1/2)	0.994	0.504

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	281	2.5 M ammonium sulfate, 10% v/v DL-malate-MES-Tris pH 9.0