7N46
ADP-binding state of the nucleotide-binding domain of Hsp70 DnaK
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 101.646, 101.646, 153.444 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.250 - 2.210 |
| R-factor | 0.2175 |
| Rwork | 0.216 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bup |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.870 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.250 | 48.250 | 2.280 |
| High resolution limit [Å] | 2.210 | 9.110 | 2.210 |
| Rmerge | 0.625 | 0.116 | 3.307 |
| Rmeas | 0.657 | 0.123 | 3.473 |
| Rpim | 0.199 | 0.039 | 1.046 |
| Total number of observations | 256415 | 3880 | 21642 |
| Number of reflections | 24196 | 435 | 2042 |
| <I/σ(I)> | 3.7 | 10.8 | 0.8 |
| Completeness [%] | 99.9 | 99.3 | 99.7 |
| Redundancy | 10.6 | 8.9 | 10.6 |
| CC(1/2) | 0.960 | 0.993 | 0.357 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 277.15 | 0.04 M HEPES pH 7.5, 20% PEG 3350, 0.1 M magnesium nitrate, 0.02 M sodium chloride, 0.01 M phosphate-citrate pH 4.2, 1% PEG 3000 |
