7N6J
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RKQSTIALALLPLLFTPRR
Replaces: 7JM8Replaces: 7JMLExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-01 |
Detector | DECTRIS PILATUS3 R 200K-A |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 47.330, 57.568, 181.467 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.930 - 2.000 |
R-factor | 0.2103 |
Rwork | 0.207 |
R-free | 0.26540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dkz |
RMSD bond length | 0.008 |
RMSD bond angle | 1.487 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.154 | 0.063 | |
Rmeas | 0.167 | 0.070 | |
Rpim | 0.068 | 0.030 | 0.532 |
Total number of observations | 107879 | ||
Number of reflections | 17179 | 951 | 832 |
<I/σ(I)> | 5.2 | ||
Completeness [%] | 99.8 | 99.5 | 99.6 |
Redundancy | 6.3 | 5.4 | 5.8 |
CC(1/2) | 0.995 | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.4 M (NH4)2SO4, 0.1 M K3PO4 pH 7.0 |