5F0X
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ADP and inorganic phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-01 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.347, 74.448, 85.882 |
| Unit cell angles | 90.00, 97.67, 90.00 |
Refinement procedure
| Resolution | 37.950 - 1.600 |
| R-factor | 0.1756 |
| Rwork | 0.174 |
| R-free | 0.20370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ey4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.249 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.620 |
| High resolution limit [Å] | 1.590 | 4.320 | 1.590 |
| Rmerge | 0.078 | 0.052 | 0.491 |
| Total number of observations | 444153 | ||
| Number of reflections | 94555 | ||
| <I/σ(I)> | 17.2 | ||
| Completeness [%] | 99.6 | 98.2 | 96.9 |
| Redundancy | 4.7 | 4.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 24-26% PEG3350, 0.1 M Tris-HCl, 0.2 M sodium chloride |
