5EXW
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 7-deaza-ATP
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 | 2015-05-06 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.682, 74.826, 89.658 |
| Unit cell angles | 90.00, 98.84, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.900 |
| R-factor | 0.1673 |
| Rwork | 0.165 |
| R-free | 0.20830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ldn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.177 |
| 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] | 88.593 | 44.327 | 2.000 |
| High resolution limit [Å] | 1.851 | 6.010 | 1.900 |
| Rmerge | 0.042 | 0.176 | |
| Rmeas | 0.062 | ||
| Rpim | 0.027 | 0.021 | 0.085 |
| Total number of observations | 282674 | 8823 | 41950 |
| Number of reflections | 57406 | ||
| <I/σ(I)> | 19.1 | 30.8 | 9.5 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 4.9 | 4.7 | 5 |
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 |
