3ZHY

Structure of Mycobacterium tuberculosis DXR in complex with a di- substituted fosmidomycin analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	110
Detector technology	CCD
Collection date	2011-09-03
Detector	ADSC QUANTUM 315r
Spacegroup name	P 43 21 2
Unit cell lengths	111.740, 111.740, 136.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.450 - 2.300
R-factor	0.20414
Rwork	0.201
R-free	0.25407
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.324
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0060)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.230	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.090	0.490
Number of reflections	39082
<I/σ(I)>	16.9	5
Completeness [%]	100.0	100
Redundancy	13.8	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1