6BAW
Structure of GRP94 with a selective resorcinylic inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0333 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.647, 93.710, 175.408 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.903 - 2.703 |
| R-factor | 0.2158 |
| Rwork | 0.214 |
| R-free | 0.25740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.461 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.12rc0_2784: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 41640 | |
| <I/σ(I)> | 9 | |
| Completeness [%] | 96.8 | |
| Redundancy | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Peg 2000 MME, Ammonium phosphate, Sodium Cacodylate pH 6.5 |
