1EP7

CRYSTAL STRUCTURE OF WT THIOREDOXIN H FROM CHLAMYDOMONAS REINHARDTII

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1998-04-20
Detector	MACSCIENCE
Spacegroup name	P 31 2 1
Unit cell lengths	49.645, 49.645, 145.312
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.204 *
Rwork	0.204
R-free	0.25200
RMSD bond length	0.008
RMSD bond angle	24.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.062	0.301 *
Total number of observations	42095 *
Number of reflections	12186
<I/σ(I)>	0.301
Completeness [%]	95.1	92.6
Redundancy	4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	PEG 8000, PEG 10000, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	18 (mg/ml)
2	1	reservoir	PEG8000	10 (%(w/v))
3	1	reservoir	PEG10000	10 (%(w/v))
4	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5