6BKV

Crystal structure of Thioredoxin from Helicobacter pylori (strain G27)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-02
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	93.160, 93.160, 78.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.339 - 2.350
R-factor	0.1779
Rwork	0.175
R-free	0.20240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ynxA
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.339	40.339	2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge	0.046	0.034	0.557
Rmeas	0.050	0.038	0.613
Number of reflections	16569	206	1197
<I/σ(I)>	20.13	40.49	2.7
Completeness [%]	99.2	90.7	98.8
Redundancy	5.563	4.539	5.713
CC(1/2)	0.998	0.997	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	285	Microlytic MCSG1 screen, E12: 2.4 mM sodium malonate, 24.59 mg/mL HepyC.00029.a.B1.PS38229, cryoprotectant: direct, tray 290729 E12, puck BYM2-1