1JG1
Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with S-ADENOSYL-L-HOMOCYSTEINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 118 |
| Detector technology | CCD |
| Collection date | 2000-04-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.160, 52.522, 96.636 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 500.000 - 1.200 |
| R-factor | 0.147 |
| Rwork | 0.142 |
| R-free | 0.20000 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 500.000 | 1.240 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.045 | 0.385 |
| Total number of observations | 427037 * | |
| Number of reflections | 61904 | |
| <I/σ(I)> | 33.8 | 2.6 |
| Completeness [%] | 97.7 * | 86.6 * |
| Redundancy | 6.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 24 * | 25% PEG 2000, 15% Glycerol, 0.2 M Ammonium Acetate pH 4.5, 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 | PEG2000 | 25 (%(w/v)) | |
| 5 | 1 | reservoir | glycerol | 15 (%(v/v)) | |
| 6 | 1 | reservoir | sodium acetate | 0.2 (M) |
