5LHF

Phosphoribosyl anthranilate isomerase 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 1
Unit cell lengths	29.678, 47.144, 88.518
Unit cell angles	102.61, 93.88, 108.34

Refinement procedure

Resolution	43.294 - 1.750
R-factor	0.1747
Rwork	0.173
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lhe
RMSD bond length	0.007
RMSD bond angle	0.820
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]	43.280	43.280	1.780
High resolution limit [Å]	1.750	8.620	1.750
Rmerge	0.047	0.021	0.494
Number of reflections	40054
<I/σ(I)>	8.5
Completeness [%]	90.4	93.9	77.8
Redundancy	1.8	2	1.6
CC(1/2)	0.997	0.998	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	289	0.1 M Tris-HCl (pH 8.0), 0.2 M sodium formate, 13% (w/v) PEG 4000.