3X3M

Crystal structure of EccB1 of Mycobacterium tuberculosis in spacegroup P212121

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	2013-05-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	31.630, 108.730, 114.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.021 - 1.900
R-factor	0.1869
Rwork	0.184
R-free	0.22520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3x3n
RMSD bond length	0.004
RMSD bond angle	0.936
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.420	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.056	0.227
Number of reflections	31116
<I/σ(I)>	18.7	5.4
Completeness [%]	97.0	84.1
Redundancy	6.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	20mM Tris-Cl pH 7.5, 100mM magnesium formate, 15% [w/v] PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K