5U7X
Crystal structure of a nucleoside triphosphate diphosphohydrolase (NTPDase) from the legume Vigna unguiculata subsp. cylindrica (Dolichos biflorus) in complex with phosphate and manganese
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.090, 71.110, 93.270 |
| Unit cell angles | 90.00, 139.45, 90.00 |
Refinement procedure
| Resolution | 46.620 - 2.600 |
| R-factor | 0.17191 |
| Rwork | 0.168 |
| R-free | 0.24804 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5u7p |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.890 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.620 | |
| High resolution limit [Å] | 2.600 | |
| Rmerge | 0.099 | 0.353 |
| Number of reflections | 15843 | |
| <I/σ(I)> | 15.9 | 5.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.5 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 0.2 M MgCl2, 50 mM acetate, pH 5.0, 9-12% MPD, 10-2-% PEG 3350, 5 mM AMP |
