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 |