1SNY
Carbonyl reductase Sniffer of D. melanogaster
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-05-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.980163, 0.979944, 0.932328 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 71.700, 73.900, 92.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.840 - 1.750 |
| R-factor | 0.247 |
| Rwork | 0.247 |
| R-free | 0.28400 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.840 | 1.860 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.073 | 0.498 |
| Number of reflections | 24381 | |
| <I/σ(I)> | 22.7 | 3.1 |
| Completeness [%] | 97.5 | 98.7 |
| Redundancy | 7.3 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | PEG 4000, sodium acetate, tris hydrogen chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
