2DJ5
Crystal Structure of the vitamin B12 biosynthetic cobaltochelatase, CbiXS, from Archaeoglobus fulgidus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.019943 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 62.721, 62.721, 150.609 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.300 - 2.550 |
| R-factor | 0.215 |
| Rwork | 0.212 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tjn |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.479 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.060 | 0.265 |
| Number of reflections | 8637 | |
| <I/σ(I)> | 12.8 | 1.9 |
| Completeness [%] | 69.0 | 48.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 1.9M ammonium phosphate pH6.8, 4% 1,6-hexanediol, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
