2QJC
Crystal structure of a putative diadenosine tetraphosphatase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-30 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.662, 62.207, 81.296 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.400 - 2.050 |
| R-factor | 0.247 |
| Rwork | 0.247 |
| R-free | 0.28100 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.070 | 0.470 |
| Number of reflections | 15002 | |
| <I/σ(I)> | 16 | 1 |
| Completeness [%] | 99.4 | 96.4 |
| Redundancy | 10.6 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1M HEPES pH 7.0, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
