5OVQ

Crystal Structure of the peroxiredoxin (AhpC2) from the Hyperthermophilic bacteria Aquifex aeolicus VF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-24
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	51.100, 141.500, 143.000
Unit cell angles	61.00, 79.40, 80.90

Refinement procedure

Resolution	19.987 - 1.800
R-factor	0.1869
Rwork	0.185
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w6g
RMSD bond length	0.006
RMSD bond angle	0.901
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.072	0.680
Number of reflections	306783	45076
<I/σ(I)>	12.2	2.48
Completeness [%]	96.3	94.2
Redundancy	3.4	3.2
CC(1/2)	0.998	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1M Tris-HCI, pH 8.5, 1.4 M Ammonium sulfate