7K0A

Puromycin N-acetyltransferase in complex with acetylated puromycin and 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	CCD
Collection date	2016-03-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	I 1 2 1
Unit cell lengths	36.596, 141.509, 98.985
Unit cell angles	90.00, 100.34, 90.00

Refinement procedure

Resolution	42.488 - 2.000
Rwork	0.207
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7k09
RMSD bond length	0.010
RMSD bond angle	1.621
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.750	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.376
Rmeas	0.400
Rpim	0.136	0.608
Number of reflections	33396	2460
<I/σ(I)>	7.7	2.3
Completeness [%]	99.9	99.4
Redundancy	17.2	15.2
CC(1/2)	0.989	0.857

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.26	281	9.9% (w/v) 1,6-hexanediol, 1.59 M ammonium sulfate, 7.4 % (v/v) polyethylene glycol 400, 0.1 M HEPES pH 8.26, 0.5 n-hexyl-b-D-glucopyranoside
1	VAPOR DIFFUSION, SITTING DROP	8.26	281	9.9% (w/v) 1,6-hexanediol, 1.59 M ammonium sulfate, 7.4 % (v/v) polyethylene glycol 400, 0.1 M HEPES pH 8.26, 0.5 n-hexyl-b-D-glucopyranoside
1	VAPOR DIFFUSION, SITTING DROP	8.26	281	9.9% (w/v) 1,6-hexanediol, 1.59 M ammonium sulfate, 7.4 % (v/v) polyethylene glycol 400, 0.1 M HEPES pH 8.26, 0.5 n-hexyl-b-D-glucopyranoside