5NOF

Anthranilate phosphoribosyltransferase from Thermococcus kodakaraensis

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	2016-09-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.03320
Spacegroup name	P 2 21 21
Unit cell lengths	42.605, 81.389, 179.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.190 - 2.420
R-factor	0.19758
Rwork	0.195
R-free	0.25451
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5noe
RMSD bond length	0.010
RMSD bond angle	1.413
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0157)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.190	2.500
High resolution limit [Å]	2.420	2.420
Rmerge	0.152	1.320
Number of reflections	24674
<I/σ(I)>	9.6	1.4
Completeness [%]	99.8	99
Redundancy	7	7.2
CC(1/2)	0.997	0.467

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	0.2 M sodium nitrate, 0.1 M Bis-Tris propane buffer (pH 8.5), 20% (w/v) PEG 3350