5JLY

Structure of Peroxiredoxin-1 from Schistosoma japonicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-03
Detector	RAYONIX MX-225
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	135.734, 199.019, 70.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.195 - 3.051
R-factor	0.1829
Rwork	0.181
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ztl
RMSD bond length	0.010
RMSD bond angle	1.319
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.100
High resolution limit [Å]	3.050	3.050
Number of reflections	18708
<I/σ(I)>	14.5
Completeness [%]	99.8
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.2 M ammonium chloride, 0.025 M calcium chloride, 0.2 M Tris-HCl