3CI3
Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with partial adenosylcobalamin and PPPi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.541 |
| Spacegroup name | H 3 |
| Unit cell lengths | 67.965, 67.965, 110.941 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.110 |
| R-factor | 0.161 |
| Rwork | 0.160 |
| R-free | 0.18000 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.429 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.150 |
| High resolution limit [Å] | 1.110 | 1.110 |
| Rmerge | 0.390 | 0.960 |
| Number of reflections | 74669 | |
| <I/σ(I)> | 35.3 | 9.8 |
| Completeness [%] | 98.9 | 89 |
| Redundancy | 4.9 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 300 | ANOXIC, 10% PEG 8000, 0.1 M MES, 33 ug/mL FMN reductase, 20 mM NADH, 2 mM FMN, 2 mM hydroxycobalamin, 3 mM MgCl2, 3 mM ATP. Grown 65 days, VAPOR DIFFUSION, temperature 300K |
