7JMM
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RAKNIILLSR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-27 |
Detector | DECTRIS PILATUS3 R 200K-A |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 38.126, 95.494, 117.374 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.790 - 2.560 |
R-factor | 0.2217 |
Rwork | 0.217 |
R-free | 0.32670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dkz |
RMSD bond length | 0.007 |
RMSD bond angle | 1.523 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.600 |
High resolution limit [Å] | 2.560 | 6.940 | 2.560 |
Rmerge | 0.148 | 0.083 | |
Rmeas | 0.161 | 0.093 | |
Rpim | 0.079 | 0.040 | |
Total number of observations | 43951 | ||
Number of reflections | 7236 | 419 | 350 |
<I/σ(I)> | 5.2 | ||
Completeness [%] | 99.9 | 100 | 98.9 |
Redundancy | 6.1 | 5.3 | 5.1 |
CC(1/2) | 0.995 | 0.435 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.4 M (NH4)2SO4, 0.1 M K3PO4 |