3T40

Crystal Structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) complex with N-2-Carboxyphenyl Glycine (CPG)

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)	0.97924
Spacegroup name	P 21 21 21
Unit cell lengths	45.844, 53.019, 88.473
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.966 - 1.752
R-factor	0.18
Rwork	0.178
R-free	0.21960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1igs
RMSD bond length	0.006
RMSD bond angle	0.960
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.780
High resolution limit [Å]	1.750	4.750	1.750
Rmerge	0.057	0.037	0.372
Number of reflections	22373
<I/σ(I)>	12.5	65.48	7.26
Completeness [%]	99.9	99	100
Redundancy	9.3	8.5	9.3

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