7JN9
Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide QEHTGSQLRIAAYGP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-05 |
Detector | DECTRIS PILATUS3 R 200K-A |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 37.269, 95.610, 116.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.770 - 2.400 |
R-factor | 0.2271 |
Rwork | 0.224 |
R-free | 0.28640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dkz |
RMSD bond length | 0.006 |
RMSD bond angle | 1.446 |
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 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.152 | 0.059 | |
Rmeas | 0.167 | 0.069 | |
Rpim | 0.090 | 0.035 | 0.714 |
Total number of observations | 35881 | ||
Number of reflections | 8444 | 471 | 400 |
<I/σ(I)> | 5.2 | ||
Completeness [%] | 99.4 | 97.7 | 97.8 |
Redundancy | 4.2 | 3.6 | 3.8 |
CC(1/2) | 0.996 | 0.615 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 2.4 M (NH4)2SO4, 0.1 M K3PO4 |