6C91
Structure of GRP94 with a resorcinylic inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0001 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 95.050, 95.050, 178.589 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.605 - 2.895 |
R-factor | 0.2004 |
Rwork | 0.196 |
R-free | 0.24120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.035 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12rc0_2784: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.895 | 2.895 |
Rmerge | 0.081 | |
Number of reflections | 18991 | |
<I/σ(I)> | 38.4 | |
Completeness [%] | 100.0 | |
Redundancy | 19.1 | |
CC(1/2) | 0.797 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Ammonium Sulfate, Tris |