5EX5
Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 7-deaza-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 | 55.270, 74.709, 88.722 |
| Unit cell angles | 90.00, 98.38, 90.00 |
Refinement procedure
| Resolution | 37.870 - 1.900 |
| R-factor | 0.1729 |
| Rwork | 0.171 |
| R-free | 0.21220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5exw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.286 |
| 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] | 40.000 | 40.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.117 | 0.056 | 0.502 |
| Rmeas | 0.134 | ||
| Rpim | 0.064 | 0.035 | 0.031 |
| Total number of observations | 234113 | 7539 | 33814 |
| Number of reflections | 55831 | ||
| <I/σ(I)> | 9.3 | 19 | 3.3 |
| Completeness [%] | 99.1 | 98.7 | 99.1 |
| Redundancy | 4.2 | 4.1 | 4.2 |
| CC(1/2) | 0.993 | 0.993 | 0.838 |
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 |
