6HNV

Crystal structure of aminotransferase Aro9 from C. Albicans with ligands

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-27
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.89429
Spacegroup name	P 21 21 21
Unit cell lengths	74.570, 88.540, 160.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.530 - 2.600
R-factor	0.20159
Rwork	0.199
R-free	0.27971
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.584
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.178	0.904
Number of reflections	31584	5145
<I/σ(I)>	9.22	2.05
Completeness [%]	94.0	95.7
Redundancy	4.7	4.7
CC(1/2)	0.992	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.06 M MgCl2, 0.06 M CaCl2, 0.1 M Tris (base): BICINE pH 8.5, 12.5% v/v MPD, 12.5% PEG 1000, 12.5% w/v PEG 3350