6Z00

Arabidopsis thaliana Naa50 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	2019-06-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.983997
Spacegroup name	P 21 21 21
Unit cell lengths	61.863, 73.862, 74.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.620 - 1.420
R-factor	0.1641
Rwork	0.164
R-free	0.19140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AtNaa50/AcCoA
RMSD bond length	0.012
RMSD bond angle	1.072
Data reduction software	XDS (VERSION Mar 15, 2019 BUILT=20190606)
Data scaling software	Aimless (7.0.073)
Phasing software	PHASER (1.17.1_3660)
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.620	1.440
High resolution limit [Å]	1.420	1.420
Rpim	0.032	0.622
Number of reflections	64831	3133
<I/σ(I)>	13.3	1.7
Completeness [%]	99.5	98.8
Redundancy	12.8	12.7
CC(1/2)	0.998	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	291.15	32.5 mg mL-1 protein mixed with CoA-Ac-MVNAL (2.5 mM); drops (400 nL): 1:1 mix of (20 mM HEPES pH 8.0, 250 mM NaCl) and (1 M LiCl, 10 % (w/v) PEG 6000, 0.1 M citric acid pH 4.0). Crystals after 20 h; 20 % (v/v) glycerol as cryo protectant