2JCX

X-ray structure of mutant 1-deoxy-D-xylulose 5-phosphate reductoisomerase, DXR, Rv2870c, from Mycobacterium tuberculosis, in complex with fosmidomycin and NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	110
Detector technology	CCD
Collection date	2006-03-18
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	67.614, 65.323, 86.179
Unit cell angles	90.00, 101.89, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.18
Rwork	0.178
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c82
RMSD bond length	0.011
RMSD bond angle	1.266
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	0.200
Number of reflections	42772
<I/σ(I)>	16.7
Completeness [%]	99.3	96.2
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1