1I7M
HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH 4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-05-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0402 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.899, 55.672, 96.086 |
| Unit cell angles | 90.00, 110.39, 90.00 |
Refinement procedure
| Resolution | 29.410 - 2.240 |
| R-factor | 0.242 * |
| Rwork | 0.242 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.300 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.715 | 2.390 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.067 | 0.196 |
| Total number of observations | 86417 * | |
| Number of reflections | 34984 | |
| <I/σ(I)> | 4.3 | 3.2 |
| Completeness [%] | 98.4 | 98.1 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 4 * | PEG 8000, Tris-HCl pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 10-20 (%(w/w)) | |
| 2 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 3 | 1 | reservoir | dithiothreitol | 10 (mM) | |
| 4 | 1 | drop | protein | 2 (mM) |
