1QYE
Crystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with 2-chlorodideoxyadenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.1808 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 87.008, 98.974, 63.254 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 * - 2.100 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.27300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1QY5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.054 | 0.482 |
| Number of reflections | 16501 | |
| <I/σ(I)> | 48.2 | 2.9 |
| Completeness [%] | 98.2 | 96.3 |
| Redundancy | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 18 * | PEG 400, Magnesium chloride, Tris, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | 10-50 (mM) | ||
| 2 | 1 | drop | protein | 30 (mg/ml) | |
| 3 | 1 | reservoir | Tris | 100 (mM) | pH7.6 |
| 4 | 1 | reservoir | 200-300 (mM) | ||
| 5 | 1 | reservoir | PEG400 | 35-45 (%) |
