2B7O

The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-23
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9796
Spacegroup name	P 32 2 1
Unit cell lengths	204.085, 204.085, 66.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.040 - 2.300
R-factor	0.18966
Rwork	0.188
R-free	0.22429
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.667
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.124	0.652
Number of reflections	70357
<I/σ(I)>	23.9	3.9
Completeness [%]	100.0	100
Redundancy	11.2	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	20mM BTP, 150mM NaCl, 0.5mM TCEP, 0.005% v/v Thesit, 0.2mM PEP, 0.1mM MnCl2, 0.1M Na HEPES, 0.8M NaK phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K