1O8W

Radiation-reduced Tryparedoxin-I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	38.099, 50.943, 70.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.170 - 1.700
R-factor	0.196
Rwork	0.193
R-free	0.25900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1qk8
RMSD bond length	0.018
RMSD bond angle	1.625
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.061	0.600
Number of reflections	15786
<I/σ(I)>	15.5	1.4
Completeness [%]	96.0	93.6
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.2		pH 8.20