2O0X

Mycobacterium tuberculosis epsp synthase in complex with intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2004-11-25
Detector	MAR CCD 165 mm
Wavelength(s)	1.05
Spacegroup name	P 21 21 21
Unit cell lengths	40.729, 73.104, 128.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.960
Rwork	0.119
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2o0d
RMSD bond length	0.007
RMSD bond angle	0.024
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.103	0.650
Number of reflections	27055
<I/σ(I)>	13	2
Completeness [%]	95.9	89
Redundancy	5.5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	0.2M Ammonium sulfate ; 30%PEG 6000; 5mM S3P, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K