5C82

Crystal structure of Nourseothricin acetyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-09
Detector	RAYONIX MX-225
Wavelength(s)	0.978690
Spacegroup name	C 1 2 1
Unit cell lengths	96.536, 44.641, 42.244
Unit cell angles	90.00, 97.67, 90.00

Refinement procedure

Resolution	15.280 - 2.200
R-factor	0.1829
Rwork	0.181
R-free	0.22390
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.820	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.091	0.341
Number of reflections	9075
<I/σ(I)>	21.4
Completeness [%]	98.7	90.8
Redundancy	7.2	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	297.15	0.1 M Carboxylic acids (0.2M Sodium formate; 0.2M Ammonium acetate; 0.2M Sodium citrate tribasic dihydrate; 0.2M Sodium potassium tartrate tetrahydrate; 0.2M Sodium oxamate), 0.1 M Buffer System 3(Tris base; BICINE) 8.5, 50 % v/v Precipitant Mix 4(25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350)