5UWY

The crystal structure of thioredoxin reductase from Streptococcus pyogenes MGAS5005

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-07
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97919
Spacegroup name	C 2 2 21
Unit cell lengths	62.669, 126.447, 129.598
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.253 - 2.720
R-factor	0.213
Rwork	0.211
R-free	0.25790
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.684
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.780
High resolution limit [Å]	2.720	2.720
Rmerge	0.067	0.809
Rpim	0.030	0.336
Number of reflections	14211	941
<I/σ(I)>	2.4	2.6
Completeness [%]	99.7	99.6
Redundancy	6.1	5.4
CC(1/2)		0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	1.0 M NaH2PO4/K2HPO4