2QXW
Perdeuterated alr2 in complex with idd594
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 15 |
| Detector technology | CCD |
| Collection date | 2003-11-07 |
| Detector | SBC-2 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.345, 66.945, 47.407 |
| Unit cell angles | 90.00, 92.07, 90.00 |
Refinement procedure
| Resolution | 10.000 - 0.800 |
| R-factor | 0.104 |
| Rwork | 0.104 |
| R-free | 0.11210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uso |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.034 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 0.850 |
| High resolution limit [Å] | 0.800 | 0.800 |
| Rmerge | 0.108 | 0.192 |
| Number of reflections | 322108 | |
| <I/σ(I)> | 11.65 | 2.97 |
| Completeness [%] | 99.8 | 99.19 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 120 mM Ammonium Citrate pH 5.0, 20% PEG 6000 |
