6Q6T

Crystal structure (orthorombic form) of C36S mutant of thioredoxin h1 from Chlamydomonas reinhardtii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	60.777, 34.815, 48.158
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.158 - 0.940
R-factor	0.1578
Rwork	0.157
R-free	0.16550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ep7
RMSD bond length	0.006
RMSD bond angle	1.007
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]	48.160	0.960
High resolution limit [Å]	0.940	0.940
Rmerge	0.043	0.369
Rmeas	0.054	0.520
Rpim	0.033	0.367
Number of reflections	64505	1579
<I/σ(I)>	18.9	1.7
Completeness [%]	96.5	47.1
Redundancy	4.1	1.6
CC(1/2)	0.997	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	20% (w/v) PEG 10K, 0.1 M sodium cacodylate