6Q5V

1-Cys SiPrx, a Prx6-family 1-Cys peroxiredoxin of the thermoacidophilic archaeon Sulfolobus islandicus

Replaces:  6GWWReplaces:  6FEU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	90
Detector technology	PIXEL
Collection date	2016-12-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	86.789, 159.060, 189.316
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.186 - 2.747
R-factor	0.2137
Rwork	0.213
R-free	0.22820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a2v
RMSD bond length	0.010
RMSD bond angle	1.603
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.186	2.862
High resolution limit [Å]	2.747	2.747
Rmerge	0.095	0.957
Rmeas	0.105	1.053
Rpim	0.044	0.433
Number of reflections	51577	2580
<I/σ(I)>	12.7	33
Completeness [%]	74.6	33
Redundancy	5.5	5.7
CC(1/2)	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	283	15% w/v PEG1500 and 0.1M MgCl2 in a 10 mMTris buffer