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) |