5J60

Structure of a thioredoxin reductase from Gloeobacter violaceus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-22
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00004
Spacegroup name	P 21 21 21
Unit cell lengths	83.278, 122.042, 139.153
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.222 - 1.900
R-factor	0.1779
Rwork	0.177
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q7v
RMSD bond length	0.010
RMSD bond angle	0.982
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_2341: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.222	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.068	1.523
Number of reflections	112104
<I/σ(I)>	24.02	1.59
Completeness [%]	100.0	100
Redundancy	13.3	12.3
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	30 & PEG-400 0.1 M Natrium Acetate, pH 4.5 0.2 M Calcium acetate