3DPO
Crystal structure of the substrate binding domain of E. coli DnaK in complex with a short pyrrhocoricin-derived inhibitor peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Collection date | 2007-11-03 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 77.579, 159.965, 44.931 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.100 |
| R-factor | 0.182 |
| Rwork | 0.178 |
| R-free | 0.24100 |
| Starting model (for MR) | 1dkx |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.434 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.1) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 69.843 | 80.060 | 2.210 |
| High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
| Rmerge | 0.090 | 0.032 | 0.318 |
| Total number of observations | 3883 | 15916 | |
| Number of reflections | 32942 | ||
| <I/σ(I)> | 7.1 | 17.1 | 2.3 |
| Completeness [%] | 98.3 | 99.5 | 97.9 |
| Redundancy | 3.4 | 3.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 2.4 M ammonium sulfate, 100 mM citric acid, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
