5EY4
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.456, 74.781, 85.747 |
| Unit cell angles | 90.00, 98.25, 90.00 |
Refinement procedure
| Resolution | 34.000 - 1.860 |
| R-factor | 0.1746 |
| Rwork | 0.173 |
| R-free | 0.21150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5exw |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.226 |
| Data reduction software | DENZO (5.7.0032) |
| 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] | 34.220 | 50.000 | 1.890 |
| High resolution limit [Å] | 1.860 | 5.050 | 1.860 |
| Rmerge | 0.059 | 0.038 | 0.216 |
| Rmeas | 0.066 | 0.043 | 0.251 |
| Rpim | 0.030 | 0.019 | 0.126 |
| Total number of observations | 268759 | ||
| Number of reflections | 59159 | ||
| <I/σ(I)> | 19.2 | ||
| Completeness [%] | 99.7 | 96.3 | 98.5 |
| Redundancy | 4.5 | 4.4 | 3.7 |
| CC(1/2) | 0.997 | 0.949 |
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 |
