4HKM

Crystal Structure of an Anthranilate Phosphoribosyltransferase (target ID NYSGRC-016600) from Xanthomonas campestris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	77
Detector technology	CCD
Collection date	2012-09-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790, 1.075
Spacegroup name	P 21 21 2
Unit cell lengths	75.250, 161.130, 56.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.414 - 1.953
R-factor	0.1888
Rwork	0.187
R-free	0.22710
Structure solution method	AB INITIO PHASING
RMSD bond length	0.008
RMSD bond angle	1.077
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.093	0.045	0.783
Number of reflections	49820
<I/σ(I)>	13
Completeness [%]	98.9	93.5	100
Redundancy	7.7	7.2	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	293	0.2 M Lithium Sulfate, 0.1 M CAPS:NaOH, 1.2 M NaH2PO4/0.8 M K2HPO4, pH 10.5, vapor diffusion, sitting drop, temperature 293K