7N1R
A novel and unique ATP hydrolysis to AMP by a human Hsp70 BiP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-30 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.988, 76.388, 79.917 |
| Unit cell angles | 84.88, 62.49, 63.14 |
Refinement procedure
| Resolution | 45.310 - 2.030 |
| R-factor | 0.1768 |
| Rwork | 0.174 |
| R-free | 0.22320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6asy |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.415 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.095 | 0.519 |
| Rpim | 0.369 | |
| Number of reflections | 83507 | 5328 |
| <I/σ(I)> | 16.4 | 3 |
| Completeness [%] | 97.2 | 84.11 |
| Redundancy | 1.9 | 1.8 |
| CC(1/2) | 0.985 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4.5 | 293 | 18-22% PEG1000, 0.1 M phosphate citrate, pH 4.5, 0.2 M lithium sulfate, 2% w/v dioxane |
