7OJU

Chaetomium thermophilum Naa50 GNAT-domain in complex with bisubstrate analogue CoA-Ac-MVNAL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976246
Spacegroup name	P 21 21 21
Unit cell lengths	36.936, 43.649, 140.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.670 - 1.100
R-factor	0.146
Rwork	0.145
R-free	0.16500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ob0
Data reduction software	XDS (version January 2019)
Data scaling software	Aimless (7.0.072)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.670	1.140
High resolution limit [Å]	1.100	1.100
Number of reflections	92854	9100
<I/σ(I)>	18.01	1.45
Completeness [%]	99.9	99.7
Redundancy	12.7	12.5
CC(1/2)	1.000	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	291.15	62 mg mL-1 protein mixed 1:2 with CoA-Ac-Lys; drops (600 nL): 1:1 mix of (20 mM HEPES pH 7.5, 500 mM NaCl) and (0.1 MES pH 6.0, 8 % (w/v) PEG3000, 37 % (v/v) PEG400). Crystals appeared after 1-2 days; 20 % (v/v) glycerol as cryo protectant