5F2R
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with AMP-PCP
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 | 54.958, 74.549, 88.414 |
| Unit cell angles | 90.00, 98.15, 90.00 |
Refinement procedure
| Resolution | 44.000 - 2.150 |
| R-factor | 0.2005 |
| Rwork | 0.199 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5exw |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.274 |
| 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 | 2.150 |
| High resolution limit [Å] | 2.110 | 5.720 | 2.110 |
| Rmerge | 0.132 | 0.081 | 0.409 |
| Total number of observations | 163471 | ||
| Number of reflections | 40808 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 99.3 | 99.4 | 95.9 |
| Redundancy | 4 | 4.3 | 3.1 |
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 |
