3QSA

Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex with inhibitor TAMU-A7)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2009-08-21
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.541790
Spacegroup name	P 21 21 21
Unit cell lengths	79.072, 91.459, 120.501
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.850 - 2.180
R-factor	0.19972
Rwork	0.197
R-free	0.25726
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.468
Data reduction software	DENZO
Data scaling software	SCALA (3.3.15)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.852	120.501	2.300
High resolution limit [Å]	2.180	6.890	2.180
Rmerge	0.238	0.011	0.011
Number of reflections	46372
<I/σ(I)>	9.2	15.8	0.7
Completeness [%]	100.0	99.9	100
Redundancy	7.2	6.6	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.2M imidazole malate, 5% glycerol, 10% PEG-4000, Seeded, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K