3SI2
Structure of glycosylated murine glutaminyl cyclase in presence of the inhibitor PQ50 (PDBD150)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-03 |
| Detector | RAYONIX MX-225 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.760, 83.060, 95.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.050 - 1.800 |
| R-factor | 0.1881 |
| Rwork | 0.184 |
| R-free | 0.25970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3si1 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.224 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.1) |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.900 | |
| High resolution limit [Å] | 1.800 | 30.000 | 1.800 |
| Rmerge | 0.107 | 0.819 | |
| Number of reflections | 31576 | 4679 | |
| <I/σ(I)> | 13.3 | 2.33 | |
| Completeness [%] | 99.8 | 99.9 | |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 294 | 100 mM sodium acetate, 200 mM ammonium sulfate, 12% w/v PEG2000 MME, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
