5IMD

Xanthomonas campestris Peroxiredoxin Q - Structure F4

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	35.660, 51.510, 40.060
Unit cell angles	90.00, 104.03, 90.00

Refinement procedure

Resolution	21.152 - 1.160
R-factor	0.1449
Rwork	0.144
R-free	0.17190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gkm
RMSD bond length	0.014
RMSD bond angle	1.692
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((dev_2386: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.750
High resolution limit [Å]	1.160	1.160
Number of reflections	46092
<I/σ(I)>	6.4
Completeness [%]	94.7
Redundancy	3.2
CC(1/2)	0.850

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