5JY5

Crystal structure of Thioredoxin 1 from Cryptococcus neoformans at 1.8 Angstroms resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.2398
Spacegroup name	P 64 2 2
Unit cell lengths	110.706, 110.706, 91.763
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	95.870 - 1.800
R-factor	0.15826
Rwork	0.156
R-free	0.19549
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j23
RMSD bond length	0.023
RMSD bond angle	2.189
Data reduction software	DENZO (HKL-2000_704y)
Data scaling software	SCALEPACK (HKL-2000_704y)
Phasing software	PHASER (7.0.004)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.092	0.581
Number of reflections	31224
<I/σ(I)>	52.9	6.2
Completeness [%]	100.0	100
Redundancy	37.1	34.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	294	1.6 M ammonium sulfate, 0.02 M tris hydrochloride