5IMC

Xanthomonas campestris Peroxiredoxin Q - Structure F3

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)	0.97648
Spacegroup name	P 1 21 1
Unit cell lengths	35.530, 51.240, 40.010
Unit cell angles	90.00, 103.95, 90.00

Refinement procedure

Resolution	10.550 - 1.050
R-factor	0.1259
Rwork	0.125
R-free	0.14350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gkm
RMSD bond length	0.015
RMSD bond angle	1.972
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((dev_2006: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.550
High resolution limit [Å]	1.050	1.050
Number of reflections	56804
<I/σ(I)>	15.8
Completeness [%]	87.6
Redundancy	6.6
CC(1/2)	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	30% PEG 4000, 0.1 M sodium acetate pH 5.5, 10 mM DTT