6G61

Crystal structure of thioredoxin O1 from Arabidopsis thaliana in oxidized state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9799
Spacegroup name	P 21 21 21
Unit cell lengths	37.151, 39.242, 79.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.670 - 1.800
R-factor	0.2207
Rwork	0.220
R-free	0.23960
RMSD bond length	0.002
RMSD bond angle	0.474
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((dev_2722: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.670	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.122	0.242
Rmeas	0.131	0.283
Rpim	0.049	0.145
Number of reflections	11316	653
<I/σ(I)>	13.1	7
Completeness [%]	100.0	100
Redundancy	11.4	7
CC(1/2)	0.996	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		277	100 mM HEPES buffer (pH 7.5) 20% PEG 8000