4WXT

X-ray crystal structure of thioredoxin from Mycobacterium avium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-17
Detector	RAYONIX MX-225
Wavelength(s)	0.87872
Spacegroup name	P 1
Unit cell lengths	26.070, 29.860, 31.080
Unit cell angles	82.64, 87.64, 66.84

Refinement procedure

Resolution	5.400 - 1.200
R-factor	0.1582
Rwork	0.157
R-free	0.17720
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2i1u
RMSD bond length	0.010
RMSD bond angle	1.352
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	5.400	1.230
High resolution limit [Å]	1.200	1.200
Rmerge		0.253
Number of reflections	25241
<I/σ(I)>	21.8	7.3
Completeness [%]	94.5	91.4
Redundancy	7.8	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	JCSG+ b2: 20% PEG 3350 0.2 M sodium thiocyanate