5CWA

Structure of Anthranilate Synthase Component I (TrpE) from Mycobacterium tuberculosis with inhibitor bound

Replaces:  4PEN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	CCD
Collection date	2012-03-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.8983
Spacegroup name	P 64 2 2
Unit cell lengths	156.406, 156.406, 128.384
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	135.450 - 2.100
R-factor	0.209
Rwork	0.207
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qdl
RMSD bond length	0.012
RMSD bond angle	1.527
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP (11.0.02)
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	135.452	2.210
High resolution limit [Å]	2.100	2.100
Rmerge		3.794
Number of reflections	54312
<I/σ(I)>	14.8	1.1
Completeness [%]	99.9	99.8
Redundancy	21.9	22.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	0.6-1.0 M AMMONIUM SULFATE, 0.1 M BIS -TRIS PROPANE, PH 7, "silver bullet" additive G6, VAPOR DIFFUSION, TEMPERATURE 291K