4E1R

Crystal structure of the dimerization domain of Lsr2 from Mycobacterium tuberculosis in the P 31 2 1 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	110
Detector technology	CCD
Collection date	2011-10-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9786
Spacegroup name	P 31 2 1
Unit cell lengths	57.390, 57.390, 105.310
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.143 - 2.041
R-factor	0.2547
Rwork	0.251
R-free	0.28710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e1p
RMSD bond length	0.008
RMSD bond angle	0.997
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER (MR)
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.655	2.150
High resolution limit [Å]	2.041	2.041
Rmerge	0.096	0.562
Number of reflections	13341
<I/σ(I)>	22.6	6.2
Completeness [%]		100
Redundancy	20.4	20.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	0.01 M cobalt(II) chloride, 1.4 M ammonium sulfate, 0.1 M MES, pH 6.5, 7.5% 1,4-dioxane, 0.2% w/v trypsin, VAPOR DIFFUSION, HANGING DROP, temperature 291K