3NJ4
Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-06 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.201, 81.939, 129.599 |
| Unit cell angles | 90.00, 107.01, 90.00 |
Refinement procedure
| Resolution | 43.610 - 2.500 |
| R-factor | 0.207 |
| Rwork | 0.207 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.620 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 55307 | |
| Completeness [%] | 87.1 | 70.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M HEPES pH 8.0, 22% PEG400, 100mM Lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
