4R9Z

Mycobacterium avium subs paratuberculosis tesB protein MAP1729c

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	57.230, 70.110, 137.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.055 - 2.600
R-factor	0.2047
Rwork	0.202
R-free	0.25760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rd7
RMSD bond length	0.005
RMSD bond angle	1.080
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.060	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.110	0.429
Number of reflections	17735
<I/σ(I)>		5.9
Completeness [%]	99.9	100
Redundancy		15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	296	70 mM sodium cacodylate, 1.2 sodium acetate trihydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K