3T78

Crystal Structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in Complex with 5-Fluoroanthranilate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9771
Spacegroup name	P 21 21 21
Unit cell lengths	46.243, 53.328, 87.406
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.524 - 1.600
Rwork	0.160
R-free	0.19070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1igs
RMSD bond length	0.005
RMSD bond angle	0.781
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.066	0.031	0.337
Number of reflections	29234
<I/σ(I)>	11.8	88.8	8.9
Completeness [%]	99.9	99.6	99.7
Redundancy	14.1	13.4	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	0.1M Sodium acetate trihydrate, 2.0 ammonium sulfate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K