1G5R
THE THREE-DIMENSIONAL STRUCTURE OF ATP:CORRINOID ADENOSYLTRANSFERASE FROM SALMONELLA TYPHIMURIUM. APO FORM
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-12-01 |
| Detector | APS-1 |
| Wavelength(s) | 0.94290, 0.97939, 0.97960, 1.0205 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 49.400, 49.400, 249.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.24700 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 16.600 * |
| Data reduction software | d*TREK |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.082 | 0.177 |
| Number of reflections | 10494 | 698 * |
| <I/σ(I)> | 35.9 | |
| Completeness [%] | 91.0 | 63.2 * |
| Redundancy | 6 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 5.5 | 4 * | 13% me-peg 350, 100 mM NaCl, 50 mM MES, pH 5.5, Batch, temperature 278K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | methyl ether-polyethylene glycol 350 | 13 (%) | |
| 2 | 1 | 1 | 100 (mM) | ||
| 3 | 1 | 1 | MES | 50 (mM ) | |
| 4 | 1 | 1 | protein | 5 (mg/ml) |
