1PM7

RmlC (dTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE)STRUCTURE FROM MYCOBACTERIUM TUBERCULOSIS AND INHIBITOR DESIGN. THE APO STRUCTURE.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-04-02
Detector	ADSC QUANTUM 4
Wavelength(s)	1.448
Spacegroup name	P 32
Unit cell lengths	66.066, 66.066, 87.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.800 - 2.200
R-factor	0.21102
Rwork	0.207
R-free	0.28339
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.682
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.800	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.050	0.423
Number of reflections	21690
<I/σ(I)>	1.8	1.8
Completeness [%]	99.9	99.9
Redundancy	4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5	298	20% PEG 8K, 0.2M calcium acetate, 0.1M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K