1LI4
Human S-adenosylhomocysteine hydrolase complexed with neplanocin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-10-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.98 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 92.830, 135.670, 171.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.010 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1A7A |
| RMSD bond length | 0.018 |
| RMSD bond angle | 23.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.080 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.051 | 0.268 |
| Total number of observations | 201201 * | |
| Number of reflections | 35337 | |
| <I/σ(I)> | 18.5 | |
| Completeness [%] | 97.5 | 91.4 |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 273 | PEG4K, IOSPROPANOL, AMMONIUM ACETATE, CITRATE, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 28 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 12 (%(w/v)) | |
| 3 | 1 | reservoir | 2-propanol | 20 (%(v/v)) | |
| 4 | 1 | reservoir | ammonium acetate | 200 (mM) | |
| 5 | 1 | reservoir | citrate | 100 (mM) | pH5.6 |
