4O29
PROTEIN-L-ISOASPARTATE O-METHYLTRANSFERASE from Pyrobaculum aerophilum in COMPLEX 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] | 100 |
| Detector technology | CCD |
| Collection date | 1999-04-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9789 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 73.720, 35.670, 66.290 |
| Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
| Resolution | 65.220 - 2.900 |
| R-factor | 0.2149 |
| Rwork | 0.210 |
| R-free | 0.26090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jg1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.758 |
| Data scaling software | XSCALE |
| Phasing software | EPMR (2.5) |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.220 | 2.970 | |
| High resolution limit [Å] | 2.900 | 12.960 | 2.900 |
| Rmerge | 0.171 | 0.063 | 0.651 |
| Number of reflections | 3881 | 49 | 264 |
| <I/σ(I)> | 7.99 | 13.34 | 1.79 |
| Completeness [%] | 98.9 | 94.2 | 88.9 |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 70% MPD, 0.1M HEPES pH 7.5, vapor diffusion, hanging drop, temperature 298K |
