4X8K

Mycobacterium tuberculosis RbpA-SID in complex with SigmaA domain 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	90
Detector technology	CCD
Collection date	2013-09-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.74
Spacegroup name	P 31 2 1
Unit cell lengths	84.459, 84.459, 73.701
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.229 - 2.202
R-factor	0.1968
Rwork	0.195
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ku2 Chain A Residues 204-268
RMSD bond length	0.005
RMSD bond angle	0.701
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.000	45.000	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.098	0.058	0.578
Rmeas	0.109	0.064	0.674
Rpim	0.048	0.028	0.337
Total number of observations	144080
Number of reflections	29225
<I/σ(I)>	9.5
Completeness [%]	98.0	100	83.9
Redundancy	4.9	5.4	3.1
CC(1/2)		0.997	0.771

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295.15	0.1M Tris pH 8.5, 0.5M ammonium sulfate