1FYE
Aspartyl Dipeptidase (Anisotropic B-Factor Refinement)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-06-06 |
| Detector | BRANDEIS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.986, 42.690, 62.496 |
| Unit cell angles | 90.00, 106.06, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.200 |
| R-factor | 0.159 |
| R-free | 0.19100 |
| Structure solution method | AB INITIO |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.031 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.047 | 0.274 |
| Total number of observations | 137483 * | |
| Number of reflections | 68270 | |
| <I/σ(I)> | 14 | |
| Completeness [%] | 93.6 | 76.1 |
| Redundancy | 2 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 9.5 * | 293 | Conlin, C.A., (1994) J.Bacteriol., 176, 166. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6-12 (mg/ml) | |
| 2 | 1 | drop | CHES | 50 (mM) | |
| 3 | 1 | drop | cacodylate-NaOH | 50 (mM) | |
| 4 | 1 | drop | 1 (mM) | ||
| 5 | 1 | drop | PEG35000 | 2.5 (%) | |
| 6 | 1 | reservoir | CHES | 50 (mM) | |
| 7 | 1 | reservoir | 0.25 (M) |
