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 |