5F1X
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.965, 74.823, 90.222 |
| Unit cell angles | 90.00, 98.85, 90.00 |
Refinement procedure
| Resolution | 44.470 - 1.900 |
| R-factor | 0.1832 |
| Rwork | 0.181 |
| R-free | 0.22790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5exw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.273 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.470 | 44.472 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.053 | 0.654 | |
| Rmeas | 0.131 | ||
| Rpim | 0.067 | 0.033 | 0.390 |
| Total number of observations | 219077 | 6882 | 32144 |
| Number of reflections | 58009 | ||
| <I/σ(I)> | 8.3 | 19 | 2.2 |
| Completeness [%] | 99.9 | 99.4 | 100 |
| Redundancy | 3.8 | 3.6 | 3.8 |
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 |
