1L9N
Three-dimensional structure of the human transglutaminase 3 enzyme: binding of calcium ions change structure for activation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-07-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.92 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.488, 116.537, 60.768 |
| Unit cell angles | 93.23, 92.99, 89.51 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.1887 * |
| Rwork | 0.189 |
| R-free | 0.23340 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB-ID 1L9M zymogen transglutaminase |
| RMSD bond length | 0.005 |
| RMSD bond angle | 25.440 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Total number of observations | 558858 * | |
| Number of reflections | 80238 | |
| <I/σ(I)> | 14.9 | |
| Completeness [%] | 97.9 | 91.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 21 * | 4-12% (w/v) Peg 6K, 100 mM Bicine (pH 9) and 1% dioxane, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | beta-octylglucoside | 0.1 (mM) | |
| 3 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | drop | 125 (mM) | ||
| 6 | 1 | drop | 3.0 (mM) | ||
| 7 | 1 | reservoir | PEG6000 | 4-12 (%(w/v)) | |
| 8 | 1 | reservoir | bicine | 100 (mM) | pH9.0 |
| 9 | 1 | reservoir | dioxane | 1 (%) |
