5IOX

Xanthomonas campestris Peroxiredoxin Q - Structure LUss

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.96486
Spacegroup name	P 1 21 1
Unit cell lengths	34.650, 54.130, 36.610
Unit cell angles	90.00, 107.72, 90.00

Refinement procedure

Resolution	33.006 - 1.300
R-factor	0.1834
Rwork	0.182
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gkk
RMSD bond length	0.009
RMSD bond angle	1.296
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.870
High resolution limit [Å]	1.300	1.300
Number of reflections	28974
<I/σ(I)>	8
Completeness [%]	91.4
Redundancy	6
CC(1/2)	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	1.0 M ammonium sulfate, 0.2 M sodium chloride, 0.1 M sodium cacodylate pH 6.8