3Q4J

Structure of a small peptide ligand bound to E.coli DNA sliding clamp

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	2005-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9157
Spacegroup name	P 1
Unit cell lengths	35.090, 132.870, 137.270
Unit cell angles	62.73, 88.51, 89.77

Refinement procedure

Resolution	29.520 - 2.300
R-factor	0.2149
Rwork	0.214
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.180
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.380
High resolution limit [Å]	2.300	4.950	2.300
Rmerge	0.050	0.033	0.360
Number of reflections	96508
<I/σ(I)>	12.2
Completeness [%]	98.6	99.1	97.9
Redundancy	3.1	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	298	0.1 M MES PH 6.0, 0.1M CaCl2, 30% PEG 400, vapor diffusion, temperature 298K