9LG0

Crystal Structure of Human Peroxiredoxin I in Complex with SAB

This is a non-PDB format compatible entry.

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	2019-09-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	65.793, 78.370, 82.149
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.840 - 1.810
R-factor	0.1635
Rwork	0.162
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.893
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.840	1.879
High resolution limit [Å]	1.810	1.814
Number of reflections	39117	3850
<I/σ(I)>	26.85
Completeness [%]	99.8
Redundancy	13.1
CC(1/2)	0.999	0.942

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	8% Tacsimate pH 8.0 (v/v), 20% PEG3350 (v/v), 18% glycerol