3Q4K

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 1
Unit cell lengths	36.250, 80.000, 82.180
Unit cell angles	66.15, 74.94, 82.03

Refinement procedure

Resolution	19.920 - 2.600
R-factor	0.2315
Rwork	0.228
R-free	0.29360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.230
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	BUSTER-TNT (BUSTER 2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.920	19.920	2.690
High resolution limit [Å]	2.600	5.560	2.600
Rmerge	0.067	0.035	0.106
Total number of observations		4573	2827
Number of reflections	22982
<I/σ(I)>	8.7	16.6	4
Completeness [%]	91.9	95.4	60.5
Redundancy	1.86	1.84	1.83

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 + 0.2% agarose in drop, temperature 298K, VAPOR DIFFUSION