1I79
HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-05-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9080 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.282, 50.751, 68.624 |
Unit cell angles | 90.00, 105.27, 90.00 |
Refinement procedure
Resolution | 25.380 - 2.010 |
R-factor | 0.212 * |
Rwork | 0.212 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
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] | 100.000 | 2.150 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.098 | 0.250 |
Total number of observations | 78987 * | |
Number of reflections | 21309 | |
<I/σ(I)> | 5.3 | 1.4 |
Completeness [%] | 95.7 | 95.3 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 18 * | PEG 8000, Tris-HCl pH 8.0, dithiothreitol, 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 | 10 (mg/ml) |