5LHE

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	C 1 2 1
Unit cell lengths	88.696, 29.096, 83.946
Unit cell angles	90.00, 114.16, 90.00

Refinement procedure

Resolution	24.720 - 1.850
R-factor	0.2215
Rwork	0.219
R-free	0.26220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4aaj
RMSD bond length	0.007
RMSD bond angle	1.128
Data reduction software	XDS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.310	38.310	1.890
High resolution limit [Å]	1.850	8.920	1.850
Rmerge	0.085	0.043	0.414
Number of reflections	15362
<I/σ(I)>	7.7
Completeness [%]	89.8	91.8	87.8
Redundancy	2.6	2.8	2.5
CC(1/2)	0.992	0.996	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	289	0.1M Tris-HCl pH 8, 0.2 M Sodium Formate, 12% PEG 4000