1JG4
Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with S-adenosylmethionine
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 | 2000-10-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.502, 52.701, 97.739 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 500.000 - 1.500 |
R-factor | 0.206 * |
Rwork | 0.206 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 500.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.041 | 0.331 |
Total number of observations | 234242 * | |
Number of reflections | 33412 | |
Completeness [%] | 99.6 | 99.9 |
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) |