6DFO
Crystal structure of human GRP78 in complex with 8-bromoadenosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 173 |
Detector technology | PIXEL |
Collection date | 2017-06-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.03327 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.556, 74.734, 89.670 |
Unit cell angles | 90.00, 98.78, 90.00 |
Refinement procedure
Resolution | 28.690 - 2.540 |
R-factor | 0.19 |
Rwork | 0.187 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.150 |
Data reduction software | XDS (INTEL64_Linux_x86_64) |
Data scaling software | SCALA (3.3.21) |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 88.620 | 44.310 | 2.680 |
High resolution limit [Å] | 2.540 | 8.050 | 2.540 |
Rmerge | 0.056 | 0.566 | |
Rmeas | 0.133 | 0.062 | 0.613 |
Rpim | 0.051 | 0.024 | 0.233 |
Number of reflections | 23826 | 792 | 3319 |
<I/σ(I)> | 11.3 | 9.8 | 1.4 |
Completeness [%] | 99.2 | 99.4 | 95.1 |
Redundancy | 6.7 | 6.3 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | Triclinic crystals of apo GRP78 were observed in 0.1 M Tris-HCl, 25% PEG3350, 0.1 M sodium/potassium tartrate. Initial crystals were then microseeded in 25% PEG3350, 0.1 M Tris-HCl, 0.2 M sodium chloride. These new apo monoclinic crystals were soaked with 5 mM 8-bromoadenosine for one week. |