5CH7

Crystal structure of the perchlorate reductase PcrAB - Phe164 gate switch intermediate - from Azospira suillum PS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	132.884, 175.667, 193.278
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.380 - 2.200
R-factor	0.1807
Rwork	0.178
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PcrAB_4YDD
RMSD bond length	0.011
RMSD bond angle	1.466
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.380	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.200
Number of reflections	228466
<I/σ(I)>	13.6	2.1
Completeness [%]	99.9	99.7
Redundancy	14.9	15.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.25	293	20% PEG6K, 0.1 M Tris pH 8.5 anaerobically