4OOB

Crystal structure of HtdX(Rv0241c) from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-10-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	64.001, 64.001, 139.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.450 - 2.300
R-factor	0.2069
Rwork	0.204
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.898
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.203	19.442	2.420
High resolution limit [Å]	2.298	7.270	2.300
Rmerge		0.030	0.495
Rpim		0.006	0.092
Total number of observations		11695	53456
Number of reflections	13436
<I/σ(I)>	36.6	94	9.7
Completeness [%]	99.0	94.8	98
Redundancy	28.2	23.9	28.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	2.5M NaCl, 0.1M Tris-HCl, 20%(W/V) PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K