6BPY

Aspergillus fumigatus Thioredoxin Reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-07
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 32 2 1
Unit cell lengths	159.220, 159.220, 121.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.970 - 3.201
R-factor	0.2325
Rwork	0.231
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d8x
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.970	29.970	3.390
High resolution limit [Å]	3.200	9.600	3.200
Rmerge	0.191	0.066	2.309
Rmeas	0.199	0.068	2.451
Rpim	0.055	0.016	0.792
Number of reflections	28434	1153	4208
<I/σ(I)>	9.4
Completeness [%]	95.9	96.7	88.9
Redundancy	12.3	18.3	8.2
CC(1/2)	0.994	0.999	0.441

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	289	32% Tacsimate