2RII

Crystal Structure of Human Peroxiredoxin I in complex with Sulfiredoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-14
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	54.921, 85.045, 130.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.520 - 2.600
R-factor	0.24232
Rwork	0.239
R-free	0.30837
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qq2 1xw3
RMSD bond length	0.013
RMSD bond angle	1.504
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.850	2.700
High resolution limit [Å]	2.600	2.600
Number of reflections	19543
<I/σ(I)>	15.8	4.7
Completeness [%]	100.0	100
Redundancy	6.9	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	14% PEG8000, 16% Ethylene glycol, 100 mM Hepes pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K