1FI4
THE X-RAY CRYSTAL STRUCTURE OF MEVALONATE 5-DIPHOSPHATE DECARBOXYLASE AT 2.3 ANGSTROM RESOLUTION.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-10-13 |
| Detector | BRANDEIS - B4 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 78.796, 126.402, 47.242 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.000 * - 2.270 |
| R-factor | 0.239 * |
| Rwork | 0.239 |
| R-free | 0.26800 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.000 * | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.030 * | 0.227 |
| Number of reflections | 40942 | |
| <I/σ(I)> | 25 | |
| Completeness [%] | 99.1 * | 90.3 * |
| Redundancy | 7.3 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 100 mM Tris-HCl pH 8.5, 15% PEG 4K, 1M NaCl, 5% glycerol, 5% ethylene glycol, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 2 | 1 | reservoir | PEG4000 | 15 (%(w/v)) | |
| 3 | 1 | reservoir | 1 (M) | ||
| 4 | 1 | reservoir | ethylene glycol | 5 (%(v/v)) |
