3L0Z
Crystal structure of a putative Nicotinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase from Methanocaldococcus jannaschii DSM 2661
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 | 2009-10-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 119.305, 119.305, 170.105 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.650 |
| R-factor | 0.20515 |
| Rwork | 0.202 |
| R-free | 0.26175 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.645 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.078 | 0.700 |
| Number of reflections | 41047 | |
| <I/σ(I)> | 35 | 3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.1 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 289 | 0.1 M Acetate, 0.8 M NaH2PO4/1.2 K2HPO4, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
