6Q47

Crystal structure of partially oxidized 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 6M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	48.683, 48.683, 143.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.161 - 1.570
R-factor	0.1886
Rwork	0.187
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ept
RMSD bond length	0.006
RMSD bond angle	0.820
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]	42.161	1.630
High resolution limit [Å]	1.570	1.570
Rmerge	0.072	0.804
Rpim	0.034	0.428
Number of reflections	28348	2646
<I/σ(I)>	10	1.5
Completeness [%]	99.5	96.7
Redundancy	5.7	4.9
CC(1/2)	0.998	0.661

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