6Q46

Crystal structure of reduced 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)	1.00
Spacegroup name	P 31 2 1
Unit cell lengths	48.769, 48.769, 143.930
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.235 - 1.700
R-factor	0.1906
Rwork	0.189
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ep7
RMSD bond length	0.006
RMSD bond angle	0.743
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.980	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.145	0.858
Rpim	0.064	0.398
Number of reflections	22494	2165
<I/σ(I)>	7.9	2.2
Completeness [%]	99.3	98.5
Redundancy	6.5	6.6
CC(1/2)	0.980	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	10% (w/v) PEG 8K, 10% (w/v) PEG 10K, 0.1 M MES