3C1Z

Structure of the ligand-free form of a bacterial DNA damage sensor protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.006
Spacegroup name	P 4 21 2
Unit cell lengths	108.930, 108.930, 166.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
Rwork	0.222
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c1y
RMSD bond length	0.006
RMSD bond angle	1.108
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.500
High resolution limit [Å]	2.300	2.300
Rmerge	0.074	0.425
Number of reflections	45103
<I/σ(I)>	12.14	2.72
Completeness [%]	99.5	98.6
Redundancy	4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1M Tris pH 7.5, 0.2M Ammoniumacetate, 35% MPD, VAPOR DIFFUSION, SITTING DROP, temperature 293K