3BHN

Crystal structure of a dj-1/pfpi-like protein (shew_2856) from shewanella loihica pv-4 at 1.76 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537, 0.9798, 0.9796
Spacegroup name	P 61 2 2
Unit cell lengths	71.320, 71.320, 180.630
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.223 - 1.760
R-factor	0.163
Rwork	0.162
R-free	0.19000
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.397
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.223	29.223	1.820
High resolution limit [Å]	1.760	3.780	1.760
Rmerge	0.083	0.044	0.806
Number of reflections	27863
<I/σ(I)>	13.14	32.6	2
Completeness [%]	99.4	99	95.4
Redundancy	10.35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	277	NANODROP, 0.2M Na Tartrate, 20.0% PEG 3350, No Buffer pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K