2JD2

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	110
Collection date	2006-10-21
Spacegroup name	P 1 21 1
Unit cell lengths	67.589, 64.812, 85.961
Unit cell angles	90.00, 101.89, 90.00

Refinement procedure

Resolution	35.000 - 2.150
R-factor	0.179
Rwork	0.176
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c82
RMSD bond length	0.010
RMSD bond angle	1.161
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]	35.000	2.210
High resolution limit [Å]	2.150	2.150
Rmerge	0.080	0.240
Number of reflections	39797
<I/σ(I)>	16.2
Completeness [%]	100.0	100
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1