6Q6U

Crystal structure of C39S mutant of thioredoxin h1 from Chlamydomonas reinhardtii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	48.431, 48.431, 143.659
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.940 - 1.810
R-factor	0.2216
Rwork	0.219
R-free	0.26630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ep7
RMSD bond length	0.002
RMSD bond angle	0.438
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.940	1.840
High resolution limit [Å]	1.810	1.810
Rmerge	0.111	0.740
Rmeas	0.133	0.891
Rpim	0.057	0.345
Number of reflections	18676	1044
<I/σ(I)>	9.7	1.9
Completeness [%]	99.6	97
Redundancy	5.8	5.7
CC(1/2)	0.990	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	10% (w/v) PEG 8K, 10% (w/v) PEG 10K, 0.1 M MES