4GIU

Bianthranilate-like analogue bound in inner site of anthranilate phosphoribosyltransferase (AnPRT; trpD).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.991838
Spacegroup name	P 21 21 2
Unit cell lengths	111.442, 80.752, 78.723
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.369 - 1.667
R-factor	0.2003
Rwork	0.199
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	chain A of PDB ENTRY 3QR9
RMSD bond length	0.007
RMSD bond angle	1.144
Data reduction software	XDS ((Kabsch)
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	111.442	1.760
High resolution limit [Å]	1.667	1.667
Rmerge	0.100	1.083
Number of reflections	83400
<I/σ(I)>	15.5	2
Completeness [%]	99.9	99.1
Redundancy	12.3	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.2M imidazole-malate, 11% PEG4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K