3ANO
Crystal Structure of a Novel Diadenosine 5',5'''-P1,P4-Tetraphosphate Phosphorylase from Mycobacterium tuberculosis H37Rv
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.454, 63.554, 79.123 |
| Unit cell angles | 90.00, 110.92, 90.00 |
Refinement procedure
| Resolution | 39.406 - 1.894 |
| R-factor | 0.1774 |
| Rwork | 0.176 |
| R-free | 0.20110 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.025 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.894 | 5.160 | 1.900 |
| Rmerge | 0.061 | 0.035 | 0.380 |
| Number of reflections | 37314 | ||
| <I/σ(I)> | 17 | ||
| Completeness [%] | 99.8 | 98.9 | 98.3 |
| Redundancy | 7.4 | 7 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M Sodium Cacodylate, 30% PEG 400, 0.2M LiSO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
