1G64
THE THREE-DIMENSIONAL STRUCTURE OF ATP:CORRINOID ADENOSYLTRANSFERASE FROM SALMONELLA TYPHIMURIUM. COBALAMIN/ATP TERNARY COMPLEX
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 | 1999-07-01 |
| Detector | APS-1 |
| Wavelength(s) | 0.97923, 0.97947, 0.98325, 0.908 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 80.000, 80.000, 142.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.28800 |
| Structure solution method | MAD + Molecular replacement |
| RMSD bond length | 0.015 |
| RMSD bond angle | 17.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.055 | 0.281 |
| Number of reflections | 29134 | 2803 * |
| <I/σ(I)> | 24.3 | |
| Completeness [%] | 98.1 | 97.1 |
| Redundancy | 4.6 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7 | 4 * | 5-9% Peg 3350, 300 mM NaCl, 1 mM MgATP, 1 mM hydroxycobalamin, pH 7.0, microbatch, temperature 278K |
| 1 | Batch method * | 7 | 4 * | 5-9% Peg 3350, 300 mM NaCl, 1 mM MgATP, 1 mM hydroxycobalamin, pH 7.0, microbatch, temperature 278K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 10 (mg/ml) | |
| 2 | 1 | 1 | PEG3350 | 5-9 (%) | |
| 3 | 1 | 1 | 300 (mM) | ||
| 4 | 1 | 1 | imidazole |
