7N6M
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RQKPLLGLSR
Replaces: 7JNGExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 37.710, 95.510, 117.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.040 - 1.820 |
| R-factor | 0.2507 |
| Rwork | 0.249 |
| R-free | 0.28660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dkz |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.445 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.040 | 74.040 | 1.860 |
| High resolution limit [Å] | 1.820 | 9.110 | 1.820 |
| Rmerge | 0.154 | 0.055 | 7.212 |
| Rmeas | 0.163 | 0.058 | 7.611 |
| Rpim | 0.050 | 0.017 | 2.376 |
| Total number of observations | 186551 | 1946 | 11311 |
| Number of reflections | 18615 | 192 | 1120 |
| <I/σ(I)> | 8.4 | 27.3 | 0.5 |
| Completeness [%] | 96.3 | 98 | 98.2 |
| Redundancy | 10 | 10.1 | 10.1 |
| CC(1/2) | 0.998 | 0.999 | 0.218 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.6 M (NH4)2SO4, 0.1 M K3PO4 |
