1JG3
Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with adenosine & VYP(ISP)HA substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 118 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-01-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 |
| Unit cell lengths | 91.573, 91.573, 124.547 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 500.000 - 2.100 |
| R-factor | 0.211 |
| Rwork | 0.204 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 500.000 | 2.070 |
| High resolution limit [Å] | 2.100 | 2.000 |
| Rmerge | 0.106 | 0.435 |
| Total number of observations | 235211 * | |
| Number of reflections | 39722 | |
| Completeness [%] | 99.6 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.5 | 22 * | 50% MPD, 100mM Tris-HCl, 200mM ammonium phosphate, pH 8.5, VAPOR DIFFUSION, HANGING DROP at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | 0.5 (M) | ||
| 3 | 1 | drop | HEPES | 20 (mM) | |
| 4 | 1 | reservoir | MPD | 50 (%(v/v)) | |
| 5 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 6 | 1 | reservoir | ammonium phosphate | 200 (mM) |
