7Q4R
Crystal structure of human HSP72-NBD in complex with fragment 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.465, 78.473, 93.498 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.750 - 1.790 |
| R-factor | 0.1939 |
| Rwork | 0.192 |
| R-free | 0.23490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s3x |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (24-FEB-2021)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.470 | 47.470 | 1.830 |
| High resolution limit [Å] | 1.790 | 8.950 | 1.790 |
| Rmerge | 0.063 | 0.030 | 0.406 |
| Rmeas | 0.069 | 0.033 | 0.470 |
| Rpim | 0.028 | 0.014 | 0.228 |
| Total number of observations | 179702 | 1747 | 5049 |
| Number of reflections | 32590 | 331 | 1470 |
| <I/σ(I)> | 15.7 | 39.1 | 2.2 |
| Completeness [%] | 96.8 | 99.5 | 75 |
| Redundancy | 5.5 | 5.3 | 3.4 |
| CC(1/2) | 0.999 | 0.999 | 0.864 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 18 to 28 % PEG 3350, 0.1 M HEPES pH 7.5, 2 mM MgCl2 and 2 mM NaH2PO4. |
