4K2H

Crystal structure of C103A mutant of DJ-1 superfamily protein STM1931 from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97857
Spacegroup name	C 1 2 1
Unit cell lengths	179.662, 113.751, 175.710
Unit cell angles	90.00, 109.33, 90.00

Refinement procedure

Resolution	36.710 - 2.200
R-factor	0.1731
Rwork	0.172
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e08
RMSD bond length	0.010
RMSD bond angle	1.335
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.069	0.041	0.410
Number of reflections	169402
<I/σ(I)>	9.6
Completeness [%]	94.9	93.1	96.1
Redundancy	2.1	2.4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	0.1M bis-tris propane, 0.9M DL-malic acid, 0.005M zinc chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K