5HQP

Crystal structure of the ERp44-peroxiredoxin 4 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-31
Detector	PSI PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	C 2 2 21
Unit cell lengths	69.289, 198.979, 225.959
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.745 - 2.600
R-factor	0.2366
Rwork	0.235
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r2j 3tjg
RMSD bond length	0.008
RMSD bond angle	1.301
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.490	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.084	0.850
Number of reflections	48595
<I/σ(I)>	13.6	2.2
Completeness [%]	100.0	100
Redundancy	8.7	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1mM MES (pH5.6), 16% PEG 400