3B5I
Crystal structure of Indole-3-acetic Acid Methyltransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-15 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.270, 129.400, 68.330 |
| Unit cell angles | 90.00, 112.30, 90.00 |
Refinement procedure
| Resolution | 45.220 - 2.750 |
| R-factor | 0.258 |
| Rwork | 0.257 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CLARKIA BREWERI CBSAMT (PDB CODE: 1M6E) |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.448 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.820 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.116 | 0.478 |
| Number of reflections | 21631 | |
| <I/σ(I)> | 12.14 | 2.72 |
| Completeness [%] | 72.4 | 79.5 |
| Redundancy | 2.97 | 2.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 277 | PEG 20,000, 1 M urea, 0.3 M KNO3, 100 mM MOPSO-Na+ and 3 mM SAH, EVAPORATION, temperature 277K, pH 7.00 |
