5IM9

Xanthomonas campestris Peroxiredoxin Q - Structure F1

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)	0.89014
Spacegroup name	P 1 21 1
Unit cell lengths	35.560, 51.485, 39.900
Unit cell angles	90.00, 103.51, 90.00

Refinement procedure

Resolution	38.796 - 1.100
R-factor	0.1171
Rwork	0.116
R-free	0.13820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gkm
RMSD bond length	0.008
RMSD bond angle	1.041
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((dev_2386: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.480
High resolution limit [Å]	1.100	1.100
Number of reflections	64661
<I/σ(I)>	12.9
Completeness [%]	99.1
Redundancy	10.9
CC(1/2)	0.610

Crystallization Conditions

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