2NT8
ATP bound at the active site of a PduO type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-21 |
| Detector | SBC-3 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 110.609, 110.609, 110.609 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.680 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nog |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.341 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.740 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.046 | 0.234 |
| Number of reflections | 25595 | |
| <I/σ(I)> | 11.3 | 4.1 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 9.5 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 8.5 | 293 | 0.85 M Ammonium sulfate, 50 mM magnesium chloride, 150 mM sodium chloride, 1.5 mM ATP, 4 mM hydroxocobalamin, pH 8.5, BATCH, temperature 293K |
