1EZK

Crystal structure of recombinant tryparedoxin I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	1999-09-13
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	38.104, 39.730, 99.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.198 *
Rwork	0.198
R-free	0.28300
RMSD bond length	0.026
RMSD bond angle	0.044
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.500	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.069 *	0.128
Number of reflections	11980
<I/σ(I)>	5.2
Completeness [%]	96.5	81.1
Redundancy	4.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.7 *	294 *	Kalisz, H.M., (1998) Acta Crystallogr., Sect.D, 55, 696. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	13.5 (mg/ml)
2	1	reservoir	PEG4000	33 (%(w/w))
3	1	reservoir	Tris-HCl	0.1 (M)	pH8.7
4	1	reservoir	sodium acetate	50 (mM)