5NOE

Anthranilate phosphoribosyltransferase from Thermococcus kodakaraensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-10
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96598
Spacegroup name	P 21 21 21
Unit cell lengths	83.870, 85.613, 180.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.270 - 1.910
R-factor	0.1896
Rwork	0.187
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gvq
RMSD bond length	0.013
RMSD bond angle	1.300
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.270	49.270	1.980
High resolution limit [Å]	1.910	7.400	1.910
Rmerge	0.090	0.064	1.003
Number of reflections	100253
<I/σ(I)>	9.5		1.5
Completeness [%]	98.8	98.9	95.9
Redundancy	4.5	4.4	4.6
CC(1/2)	0.997	0.996	0.536

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	20% w/v PEG 3350, 0.2M sodium acetate